PubChemLite - 634897-22-6 (C24H19ClN4O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CC=C4O)Cl

InChI

InChI=1S/C24H19ClN4O3/c25-20-7-3-1-6-18(20)15-32-19-11-9-16(10-12-19)21-13-22(28-27-21)24(31)29-26-14-17-5-2-4-8-23(17)30/h1-14,30H,15H2,(H,27,28)(H,29,31)/b26-14+

InChIKey

GPYJHINPZQORGP-VULFUBBASA-N

Compound name

3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

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]+	447.12184	204.2
[M+Na]+	469.10378	210.7
[M-H]-	445.10728	213.3
[M+NH4]+	464.14838	211.0
[M+K]+	485.07772	202.6
[M+H-H2O]+	429.11182	192.7
[M+HCOO]-	491.11276	221.6
[M+CH3COO]-	505.12841	212.3
[M+Na-2H]-	467.08923	205.7
[M]+	446.11401	206.1
[M]-	446.11511	206.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.12184

204.2

[M+Na]+

469.10378

210.7

[M-H]-

445.10728

213.3

[M+NH4]+

464.14838

211.0

[M+K]+

485.07772

202.6

[M+H-H2O]+

429.11182

192.7

[M+HCOO]-

491.11276

221.6

[M+CH3COO]-

505.12841

212.3

[M+Na-2H]-

467.08923

205.7

[M]+

446.11401

206.1

[M]-

446.11511

206.1

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

634897-22-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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