PubChemLite - 303104-73-6 (C24H25N5O)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=CC=CC=C2N1)/C=N/NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)CC(C)C

InChI

InChI=1S/C24H25N5O/c1-15(2)12-17-8-10-18(11-9-17)22-13-23(28-27-22)24(30)29-25-14-20-16(3)26-21-7-5-4-6-19(20)21/h4-11,13-15,26H,12H2,1-3H3,(H,27,28)(H,29,30)/b25-14+

InChIKey

PEFDHWLCGFBIPI-AFUMVMLFSA-N

Compound name

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-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]+	400.21318	197.5
[M+Na]+	422.19512	204.1
[M-H]-	398.19862	204.3
[M+NH4]+	417.23972	207.7
[M+K]+	438.16906	196.6
[M+H-H2O]+	382.20316	187.2
[M+HCOO]-	444.20410	217.8
[M+CH3COO]-	458.21975	206.1
[M+Na-2H]-	420.18057	197.0
[M]+	399.20535	198.1
[M]-	399.20645	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.21318

197.5

[M+Na]+

422.19512

204.1

[M-H]-

398.19862

204.3

[M+NH4]+

417.23972

207.7

[M+K]+

438.16906

196.6

[M+H-H2O]+

382.20316

187.2

[M+HCOO]-

444.20410

217.8

[M+CH3COO]-

458.21975

206.1

[M+Na-2H]-

420.18057

197.0

[M]+

399.20535

198.1

[M]-

399.20645

198.1

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

303104-73-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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