PubChemLite - 634895-42-4 (C26H21N5O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H21N5O2/c32-26(31-28-16-19-15-27-22-12-6-4-10-20(19)22)24-14-23(29-30-24)21-11-5-7-13-25(21)33-17-18-8-2-1-3-9-18/h1-16,27H,17H2,(H,29,30)(H,31,32)/b28-16+

InChIKey

KSVFIGCFOYUXRM-LQKURTRISA-N

Compound name

N-[(E)-1H-indol-3-ylmethylideneamino]-3-(2-phenylmethoxyphenyl)-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]+	436.17681	198.5
[M+Na]+	458.15875	204.5
[M-H]-	434.16225	208.0
[M+NH4]+	453.20335	206.0
[M+K]+	474.13269	196.3
[M+H-H2O]+	418.16679	186.8
[M+HCOO]-	480.16773	220.2
[M+CH3COO]-	494.18338	206.7
[M+Na-2H]-	456.14420	201.4
[M]+	435.16898	198.5
[M]-	435.17008	198.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.17681

198.5

[M+Na]+

458.15875

204.5

[M-H]-

434.16225

208.0

[M+NH4]+

453.20335

206.0

[M+K]+

474.13269

196.3

[M+H-H2O]+

418.16679

186.8

[M+HCOO]-

480.16773

220.2

[M+CH3COO]-

494.18338

206.7

[M+Na-2H]-

456.14420

201.4

[M]+

435.16898

198.5

[M]-

435.17008

198.5

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

634895-42-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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