PubChemLite - 1-methyl-1h-imidazole-2-sulfonamide, n-(3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-3-furanyl)methyl)phenyl)- (C24H31N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=NC=CN4C)O)CCC

InChI

InChI=1S/C24H31N3O5S/c1-4-11-24(12-5-2)21(28)20(22(29)32-24)19(16-9-10-16)17-7-6-8-18(15-17)26-33(30,31)23-25-13-14-27(23)3/h6-8,13-16,19,26,28H,4-5,9-12H2,1-3H3

InChIKey

ANMMPJUWWHISLS-UHFFFAOYSA-N

Compound name

N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]-1-methylimidazole-2-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]+	474.20574	205.1
[M+Na]+	496.18768	212.8
[M-H]-	472.19118	215.5
[M+NH4]+	491.23228	209.8
[M+K]+	512.16162	208.4
[M+H-H2O]+	456.19572	199.7
[M+HCOO]-	518.19666	217.9
[M+CH3COO]-	532.21231	234.1
[M+Na-2H]-	494.17313	202.9
[M]+	473.19791	214.2
[M]-	473.19901	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.20574

205.1

[M+Na]+

496.18768

212.8

[M-H]-

472.19118

215.5

[M+NH4]+

491.23228

209.8

[M+K]+

512.16162

208.4

[M+H-H2O]+

456.19572

199.7

[M+HCOO]-

518.19666

217.9

[M+CH3COO]-

532.21231

234.1

[M+Na-2H]-

494.17313

202.9

[M]+

473.19791

214.2

[M]-

473.19901

214.2

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

1-methyl-1h-imidazole-2-sulfonamide, n-(3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-3-furanyl)methyl)phenyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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