PubChemLite - 634896-01-8 (C26H23ClN4O3)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN4O3/c1-2-33-25-6-4-3-5-20(25)16-28-31-26(32)24-15-23(29-30-24)19-9-13-22(14-10-19)34-17-18-7-11-21(27)12-8-18/h3-16H,2,17H2,1H3,(H,29,30)(H,31,32)/b28-16+

InChIKey

YCCIOALULIOJDY-LQKURTRISA-N

Compound name

3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-ethoxyphenyl)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]+	475.15315	213.6
[M+Na]+	497.13509	219.5
[M-H]-	473.13859	223.5
[M+NH4]+	492.17969	219.8
[M+K]+	513.10903	211.7
[M+H-H2O]+	457.14313	201.1
[M+HCOO]-	519.14407	231.6
[M+CH3COO]-	533.15972	221.3
[M+Na-2H]-	495.12054	214.3
[M]+	474.14532	217.7
[M]-	474.14642	217.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.15315

213.6

[M+Na]+

497.13509

219.5

[M-H]-

473.13859

223.5

[M+NH4]+

492.17969

219.8

[M+K]+

513.10903

211.7

[M+H-H2O]+

457.14313

201.1

[M+HCOO]-

519.14407

231.6

[M+CH3COO]-

533.15972

221.3

[M+Na-2H]-

495.12054

214.3

[M]+

474.14532

217.7

[M]-

474.14642

217.7

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

634896-01-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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