CID 271030

32039-48-8

Structural Information

Molecular Formula
C16H15N5O3S
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C16H15N5O3S/c1-11-15(16(22)21(20-11)13-5-3-2-4-6-13)19-18-12-7-9-14(10-8-12)25(17,23)24/h2-10,15H,1H3,(H2,17,23,24)
InChIKey
TZERFUCXCBLOGZ-UHFFFAOYSA-N
Compound name
4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

357.08957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09685 182.0
[M+Na]+ 380.07879 191.2
[M-H]- 356.08229 192.6
[M+NH4]+ 375.12339 194.5
[M+K]+ 396.05273 186.4
[M+H-H2O]+ 340.08683 172.4
[M+HCOO]- 402.08777 203.8
[M+CH3COO]- 416.10342 220.2
[M+Na-2H]- 378.06424 185.3
[M]+ 357.08902 184.8
[M]- 357.09012 184.8
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

patents stripe