PubChemLite - 634897-26-0 (C23H18ClN5O2)

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=N4)Cl

InChI

InChI=1S/C23H18ClN5O2/c24-20-7-2-1-5-17(20)15-31-19-10-8-16(9-11-19)21-13-22(28-27-21)23(30)29-26-14-18-6-3-4-12-25-18/h1-14H,15H2,(H,27,28)(H,29,30)/b26-14+

InChIKey

CJOSCAVSWXMMQS-VULFUBBASA-N

Compound name

3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-pyridin-2-ylmethylideneamino]-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]+	432.12218	200.4
[M+Na]+	454.10412	207.0
[M-H]-	430.10762	209.1
[M+NH4]+	449.14872	206.9
[M+K]+	470.07806	198.6
[M+H-H2O]+	414.11216	187.6
[M+HCOO]-	476.11310	217.9
[M+CH3COO]-	490.12875	208.5
[M+Na-2H]-	452.08957	203.5
[M]+	431.11435	202.3
[M]-	431.11545	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.12218

200.4

[M+Na]+

454.10412

207.0

[M-H]-

430.10762

209.1

[M+NH4]+

449.14872

206.9

[M+K]+

470.07806

198.6

[M+H-H2O]+

414.11216

187.6

[M+HCOO]-

476.11310

217.9

[M+CH3COO]-

490.12875

208.5

[M+Na-2H]-

452.08957

203.5

[M]+

431.11435

202.3

[M]-

431.11545

202.3

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

634897-26-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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