PubChemLite - 319460-94-1 (C26H22FN7O)

Structural Information

Molecular Formula

SMILES

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)NC3=CC4=C(C=C3)C(=NN4)/C=C/C5=CC=CC=N5)F)C

InChI

InChI=1S/C26H22FN7O/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17/h3-15,29H,1-2H3,(H,30,35)(H,31,32)/b11-8+

InChIKey

JXSVVZKPEDIRTN-DHZHZOJOSA-N

Compound name

N-[2-fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-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]+	468.19426	211.6
[M+Na]+	490.17620	225.6
[M+NH4]+	485.22080	215.6
[M+K]+	506.15014	221.8
[M-H]-	466.17970	216.2
[M+Na-2H]-	488.16165	220.1
[M]+	467.18643	214.7
[M]-	467.18753	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.19426

211.6

[M+Na]+

490.17620

225.6

[M+NH4]+

485.22080

215.6

[M+K]+

506.15014

221.8

[M-H]-

466.17970

216.2

[M+Na-2H]-

488.16165

220.1

[M]+

467.18643

214.7

[M]-

467.18753

214.7

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

319460-94-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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