PubChemLite - N-[3-[cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2h-1-benzopyran-3-yl)methyl]phenyl]-1-methyl-1h-imidazole-4-sulfonamide (C24H23N3O6S)

Structural Information

Molecular Formula

SMILES

CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC(=C2)C(C3CC3)C4=C(C5=C(C=C(C=C5)OC)OC4=O)O

InChI

InChI=1S/C24H23N3O6S/c1-27-12-20(25-13-27)34(30,31)26-16-5-3-4-15(10-16)21(14-6-7-14)22-23(28)18-9-8-17(32-2)11-19(18)33-24(22)29/h3-5,8-14,21,26,28H,6-7H2,1-2H3

InChIKey

FVCKWPQMLLACPQ-UHFFFAOYSA-N

Compound name

N-[3-[cyclopropyl-(4-hydroxy-7-methoxy-2-oxochromen-3-yl)methyl]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]+	482.13805	208.8
[M+Na]+	504.11999	219.3
[M-H]-	480.12349	220.6
[M+NH4]+	499.16459	210.3
[M+K]+	520.09393	214.0
[M+H-H2O]+	464.12803	200.9
[M+HCOO]-	526.12897	223.5
[M+CH3COO]-	540.14462	217.5
[M+Na-2H]-	502.10544	210.9
[M]+	481.13022	219.2
[M]-	481.13132	219.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.13805

208.8

[M+Na]+

504.11999

219.3

[M-H]-

480.12349

220.6

[M+NH4]+

499.16459

210.3

[M+K]+

520.09393

214.0

[M+H-H2O]+

464.12803

200.9

[M+HCOO]-

526.12897

223.5

[M+CH3COO]-

540.14462

217.5

[M+Na-2H]-

502.10544

210.9

[M]+

481.13022

219.2

[M]-

481.13132

219.2

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

N-[3-[cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2h-1-benzopyran-3-yl)methyl]phenyl]-1-methyl-1h-imidazole-4-sulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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