PubChemLite - 477735-06-1 (C26H30N4O2)

Structural Information

Molecular Formula

SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-2-17-32-24-15-13-20(14-16-24)25-22(19-30(29-25)23-11-7-4-8-12-23)18-27-28-26(31)21-9-5-3-6-10-21/h4,7-8,11-16,18-19,21H,2-3,5-6,9-10,17H2,1H3,(H,28,31)/b27-18+

InChIKey

GNWSKDRCPFVILH-OVVQPSECSA-N

Compound name

N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]cyclohexanecarboxamide

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]+	431.24416	205.2
[M+Na]+	453.22610	207.2
[M-H]-	429.22960	215.1
[M+NH4]+	448.27070	212.6
[M+K]+	469.20004	201.2
[M+H-H2O]+	413.23414	192.1
[M+HCOO]-	475.23508	225.1
[M+CH3COO]-	489.25073	233.7
[M+Na-2H]-	451.21155	204.5
[M]+	430.23633	202.7
[M]-	430.23743	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.24416

205.2

[M+Na]+

453.22610

207.2

[M-H]-

429.22960

215.1

[M+NH4]+

448.27070

212.6

[M+K]+

469.20004

201.2

[M+H-H2O]+

413.23414

192.1

[M+HCOO]-

475.23508

225.1

[M+CH3COO]-

489.25073

233.7

[M+Na-2H]-

451.21155

204.5

[M]+

430.23633

202.7

[M]-

430.23743

202.7

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

477735-06-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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