PubChemLite - Einecs 259-571-1 (C25H35N5O4S)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)CNS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C(=C(N(C2=O)CCCC)O)C#N)C

InChI

InChI=1S/C25H35N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27,31H,5-10,15,17H2,1-4H3

InChIKey

ZGWIHQVDQSMSDT-UHFFFAOYSA-N

Compound name

4-[(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzenesulfonamide

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]+	502.24825	227.9
[M+Na]+	524.23019	234.0
[M-H]-	500.23369	232.5
[M+NH4]+	519.27479	232.8
[M+K]+	540.20413	229.4
[M+H-H2O]+	484.23823	210.9
[M+HCOO]-	546.23917	241.0
[M+CH3COO]-	560.25482	257.7
[M+Na-2H]-	522.21564	225.2
[M]+	501.24042	229.8
[M]-	501.24152	229.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.24825

227.9

[M+Na]+

524.23019

234.0

[M-H]-

500.23369

232.5

[M+NH4]+

519.27479

232.8

[M+K]+

540.20413

229.4

[M+H-H2O]+

484.23823

210.9

[M+HCOO]-

546.23917

241.0

[M+CH3COO]-

560.25482

257.7

[M+Na-2H]-

522.21564

225.2

[M]+

501.24042

229.8

[M]-

501.24152

229.8

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

Einecs 259-571-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe