CID 515015

4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]-n-thiazol-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C13H12N6O3S2
SMILES
CC1=NNC(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C13H12N6O3S2/c1-8-11(12(20)18-15-8)17-16-9-2-4-10(5-3-9)24(21,22)19-13-14-6-7-23-13/h2-7,11H,1H3,(H,14,19)(H,18,20)
InChIKey
GVOQEMCDLZKQPG-UHFFFAOYSA-N
Compound name
4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.04123 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04851 180.8
[M+Na]+ 387.03045 190.5
[M-H]- 363.03395 189.5
[M+NH4]+ 382.07505 193.5
[M+K]+ 403.00439 185.0
[M+H-H2O]+ 347.03849 173.1
[M+HCOO]- 409.03943 197.3
[M+CH3COO]- 423.05508 215.2
[M+Na-2H]- 385.01590 183.2
[M]+ 364.04068 184.0
[M]- 364.04178 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.