PubChemLite - 302918-15-6 (C25H24N4O2)

Structural Information

Molecular Formula

SMILES

CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C25H24N4O2/c1-16(2)13-17-7-9-19(10-8-17)22-14-23(28-27-22)25(31)29-26-15-21-20-6-4-3-5-18(20)11-12-24(21)30/h3-12,14-16,30H,13H2,1-2H3,(H,27,28)(H,29,31)/b26-15+

InChIKey

YSNNKSBFCRCBTA-CVKSISIWSA-N

Compound name

N-[(E)-(2-hydroxynaphthalen-1-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]+	413.19718	200.4
[M+Na]+	435.17912	206.6
[M-H]-	411.18262	207.7
[M+NH4]+	430.22372	209.2
[M+K]+	451.15306	199.3
[M+H-H2O]+	395.18716	189.6
[M+HCOO]-	457.18810	220.7
[M+CH3COO]-	471.20375	208.7
[M+Na-2H]-	433.16457	202.2
[M]+	412.18935	201.0
[M]-	412.19045	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.19718

200.4

[M+Na]+

435.17912

206.6

[M-H]-

411.18262

207.7

[M+NH4]+

430.22372

209.2

[M+K]+

451.15306

199.3

[M+H-H2O]+

395.18716

189.6

[M+HCOO]-

457.18810

220.7

[M+CH3COO]-

471.20375

208.7

[M+Na-2H]-

433.16457

202.2

[M]+

412.18935

201.0

[M]-

412.19045

201.0

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

302918-15-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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