PubChemLite - 634896-75-6 (C26H24N4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)C

InChI

InChI=1S/C26H24N4O2/c1-18-3-7-20(8-4-18)16-27-30-26(31)25-15-24(28-29-25)22-11-13-23(14-12-22)32-17-21-9-5-19(2)6-10-21/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16+

InChIKey

UMOJSWQWBWBYOO-JVWAILMASA-N

Compound name

3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-(4-methylphenyl)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]+	425.19718	203.8
[M+Na]+	447.17912	209.3
[M-H]-	423.18262	214.1
[M+NH4]+	442.22372	211.3
[M+K]+	463.15306	202.0
[M+H-H2O]+	407.18716	191.4
[M+HCOO]-	469.18810	226.4
[M+CH3COO]-	483.20375	212.2
[M+Na-2H]-	445.16457	204.9
[M]+	424.18935	204.2
[M]-	424.19045	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.19718

203.8

[M+Na]+

447.17912

209.3

[M-H]-

423.18262

214.1

[M+NH4]+

442.22372

211.3

[M+K]+

463.15306

202.0

[M+H-H2O]+

407.18716

191.4

[M+HCOO]-

469.18810

226.4

[M+CH3COO]-

483.20375

212.2

[M+Na-2H]-

445.16457

204.9

[M]+

424.18935

204.2

[M]-

424.19045

204.2

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

634896-75-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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