CID 172338

Dtxsid701340416

Structural Information

Molecular Formula
C17H17N5O4S
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)O
InChI
InChI=1S/C17H17N5O4S/c1-11-16(17(24)22(21-11)12-6-4-3-5-7-12)20-19-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,18,21,23H,1-2H3
InChIKey
FYVLZEQQCMSFNB-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methyl-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
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 188.6
[M+Na]+ 410.08935 197.8
[M-H]- 386.09285 197.5
[M+NH4]+ 405.13395 198.9
[M+K]+ 426.06329 192.0
[M+H-H2O]+ 370.09739 179.4
[M+HCOO]- 432.09833 209.2
[M+CH3COO]- 446.11398 222.6
[M+Na-2H]- 408.07480 192.3
[M]+ 387.09958 192.2
[M]- 387.10068 192.2
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.