PubChemLite - 304462-19-9 (C29H32N4O5S2)

Structural Information

Molecular Formula

SMILES

CCNC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C(=C(N=C3C4=CC=CC=C4)OC)C=O

InChI

InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)

InChIKey

QTOZBSNPDCWHPV-UHFFFAOYSA-N

Compound name

1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea

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]+	581.18868	240.5
[M+Na]+	603.17062	246.8
[M-H]-	579.17412	251.8
[M+NH4]+	598.21522	245.2
[M+K]+	619.14456	240.4
[M+H-H2O]+	563.17866	231.9
[M+HCOO]-	625.17960	252.7
[M+CH3COO]-	639.19525	255.0
[M+Na-2H]-	601.15607	236.5
[M]+	580.18085	250.0
[M]-	580.18195	250.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.18868

240.5

[M+Na]+

603.17062

246.8

[M-H]-

579.17412

251.8

[M+NH4]+

598.21522

245.2

[M+K]+

619.14456

240.4

[M+H-H2O]+

563.17866

231.9

[M+HCOO]-

625.17960

252.7

[M+CH3COO]-

639.19525

255.0

[M+Na-2H]-

601.15607

236.5

[M]+

580.18085

250.0

[M]-

580.18195

250.0

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

304462-19-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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