PubChemLite - Nsc674572 (C35H24ClN3O2S)

Structural Information

Molecular Formula

SMILES

C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7

InChI

InChI=1S/C35H24ClN3O2S/c36-27-16-10-26(11-17-27)35-38(32(40)22-42-35)28-18-12-23(13-19-28)24-14-20-29(21-15-24)39-33(25-6-2-1-3-7-25)37-31-9-5-4-8-30(31)34(39)41/h1-21,35H,22H2

InChIKey

JWZGNRBHRFONQU-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one

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]+	586.13503	244.4
[M+Na]+	608.11697	253.8
[M-H]-	584.12047	259.2
[M+NH4]+	603.16157	246.3
[M+K]+	624.09091	242.7
[M+H-H2O]+	568.12501	229.8
[M+HCOO]-	630.12595	250.8
[M+CH3COO]-	644.14160	249.9
[M+Na-2H]-	606.10242	239.8
[M]+	585.12720	246.4
[M]-	585.12830	246.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

586.13503

244.4

[M+Na]+

608.11697

253.8

[M-H]-

584.12047

259.2

[M+NH4]+

603.16157

246.3

[M+K]+

624.09091

242.7

[M+H-H2O]+

568.12501

229.8

[M+HCOO]-

630.12595

250.8

[M+CH3COO]-

644.14160

249.9

[M+Na-2H]-

606.10242

239.8

[M]+

585.12720

246.4

[M]-

585.12830

246.4

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

Nsc674572

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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