PubChemLite - 54805-02-6 (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	217.1
[M+Na]+	524.23019	225.3
[M+NH4]+	519.27479	216.8
[M+K]+	540.20413	214.9
[M-H]-	500.23369	212.0
[M+Na-2H]-	522.21564	218.0
[M]+	501.24042	216.1
[M]-	501.24152	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.24825

217.1

[M+Na]+

524.23019

225.3

[M+NH4]+

519.27479

216.8

[M+K]+

540.20413

214.9

[M-H]-

500.23369

212.0

[M+Na-2H]-

522.21564

218.0

[M]+

501.24042

216.1

[M]-

501.24152

216.1

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

54805-02-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe