CID 163424

Dtxsid801340471

Structural Information

Molecular Formula
C17H17N5O4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)N)O)N=NC2=C(NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H17N5O4S/c1-10-8-13(14(23)9-15(10)27(18,25)26)19-20-16-11(2)21-22(17(16)24)12-6-4-3-5-7-12/h3-9,21,23H,1-2H3,(H2,18,25,26)
InChIKey
APJGXFJNLSFFMS-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.10013 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10741 189.8
[M+Na]+ 410.08935 199.7
[M-H]- 386.09285 198.5
[M+NH4]+ 405.13395 200.1
[M+K]+ 426.06329 193.7
[M+H-H2O]+ 370.09739 180.8
[M+HCOO]- 432.09833 209.7
[M+CH3COO]- 446.11398 223.6
[M+Na-2H]- 408.07480 191.7
[M]+ 387.09958 192.8
[M]- 387.10068 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.