PubChemLite - N-(3-{[6-(3-azido-1-ethyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl)-cyclopropyl-methyl}-phenyl]-1-methyl-1h-imidazole-4-sulfonamide (C24H28N6O5S)

Structural Information

Molecular Formula

SMILES

CCC(CCN=[N+]=[N-])C1=CC(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O

InChI

InChI=1S/C24H28N6O5S/c1-3-15(9-10-27-29-25)20-12-19(31)23(24(32)35-20)22(16-7-8-16)17-5-4-6-18(11-17)28-36(33,34)21-13-30(2)14-26-21/h4-6,11-16,22,28,31H,3,7-10H2,1-2H3

InChIKey

NCNJJWLCPJVLFO-UHFFFAOYSA-N

Compound name

N-[3-[[6-(1-azidopentan-3-yl)-4-hydroxy-2-oxopyran-3-yl]-cyclopropylmethyl]phenyl]-1-methylimidazole-4-sulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	513.19148	211.4
[M+Na]+	535.17342	216.2
[M-H]-	511.17692	223.6
[M+NH4]+	530.21802	210.2
[M+K]+	551.14736	205.5
[M+H-H2O]+	495.18146	206.1
[M+HCOO]-	557.18240	230.2
[M+CH3COO]-	571.19805	243.9
[M+Na-2H]-	533.15887	216.2
[M]+	512.18365	215.7
[M]-	512.18475	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.19148

211.4

[M+Na]+

535.17342

216.2

[M-H]-

511.17692

223.6

[M+NH4]+

530.21802

210.2

[M+K]+

551.14736

205.5

[M+H-H2O]+

495.18146

206.1

[M+HCOO]-

557.18240

230.2

[M+CH3COO]-

571.19805

243.9

[M+Na-2H]-

533.15887

216.2

[M]+

512.18365

215.7

[M]-

512.18475

215.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(3-{[6-(3-azido-1-ethyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl)-cyclopropyl-methyl}-phenyl]-1-methyl-1h-imidazole-4-sulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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