PubChemLite - 1h-imidazole-4-sulfonamide, n-[3-(1-(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-furan-3-yl)-2-methyl-propyl)-phenyl-1-methyl- (C24H33N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(C(=C(C(=O)O1)C(C2=CC(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)C(C)C)O)CCC

InChI

InChI=1S/C24H33N3O5S/c1-6-11-24(12-7-2)22(28)21(23(29)32-24)20(16(3)4)17-9-8-10-18(13-17)26-33(30,31)19-14-27(5)15-25-19/h8-10,13-16,20,26,28H,6-7,11-12H2,1-5H3

InChIKey

WRRSCGKFANOMSR-UHFFFAOYSA-N

Compound name

N-[3-[1-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)-2-methylpropyl]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]+	476.22136	212.9
[M+Na]+	498.20330	218.9
[M-H]-	474.20680	220.3
[M+NH4]+	493.24790	222.1
[M+K]+	514.17724	216.0
[M+H-H2O]+	458.21134	206.5
[M+HCOO]-	520.21228	224.6
[M+CH3COO]-	534.22793	235.3
[M+Na-2H]-	496.18875	209.2
[M]+	475.21353	220.4
[M]-	475.21463	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.22136

212.9

[M+Na]+

498.20330

218.9

[M-H]-

474.20680

220.3

[M+NH4]+

493.24790

222.1

[M+K]+

514.17724

216.0

[M+H-H2O]+

458.21134

206.5

[M+HCOO]-

520.21228

224.6

[M+CH3COO]-

534.22793

235.3

[M+Na-2H]-

496.18875

209.2

[M]+

475.21353

220.4

[M]-

475.21463

220.4

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

1h-imidazole-4-sulfonamide, n-[3-(1-(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-furan-3-yl)-2-methyl-propyl)-phenyl-1-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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