PubChemLite - 127662-41-3 (C30H20ClN3O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=NC(=C(N2C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)O)/C=C\5/C=C6C=CC=CC6=N5

InChI

InChI=1S/C30H20ClN3O2/c31-22-10-14-25(15-11-22)36-26-16-12-24(13-17-26)34-29(20-6-2-1-3-7-20)33-28(30(34)35)19-23-18-21-8-4-5-9-27(21)32-23/h1-19,35H/b23-19-

InChIKey

FSELFHSDJBGSKS-NMWGTECJSA-N

Compound name

3-[4-(4-chlorophenoxy)phenyl]-5-[(Z)-indol-2-ylidenemethyl]-2-phenylimidazol-4-ol

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]+	490.13168	219.8
[M+Na]+	512.11362	230.2
[M-H]-	488.11712	232.3
[M+NH4]+	507.15822	226.7
[M+K]+	528.08756	219.7
[M+H-H2O]+	472.12166	206.9
[M+HCOO]-	534.12260	234.6
[M+CH3COO]-	548.13825	228.1
[M+Na-2H]-	510.09907	217.8
[M]+	489.12385	224.0
[M]-	489.12495	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.13168

219.8

[M+Na]+

512.11362

230.2

[M-H]-

488.11712

232.3

[M+NH4]+

507.15822

226.7

[M+K]+

528.08756

219.7

[M+H-H2O]+

472.12166

206.9

[M+HCOO]-

534.12260

234.6

[M+CH3COO]-

548.13825

228.1

[M+Na-2H]-

510.09907

217.8

[M]+

489.12385

224.0

[M]-

489.12495

224.0

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

127662-41-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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