CID 165360683

Dtxsid501340391

Structural Information

Molecular Formula
C17H15N5O5S
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)N)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C17H15N5O5S/c1-10-15(20-19-14-8-3-2-7-13(14)17(24)25)16(23)22(21-10)11-5-4-6-12(9-11)28(18,26)27/h2-9,21H,1H3,(H,24,25)(H2,18,26,27)
InChIKey
DSGFEFCZEAITKK-UHFFFAOYSA-N
Compound name
2-[[5-methyl-3-oxo-2-(3-sulfamoylphenyl)-1H-pyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.07938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08666 190.9
[M+Na]+ 424.06860 199.4
[M-H]- 400.07210 199.3
[M+NH4]+ 419.11320 199.9
[M+K]+ 440.04254 194.3
[M+H-H2O]+ 384.07664 181.7
[M+HCOO]- 446.07758 210.1
[M+CH3COO]- 460.09323 224.8
[M+Na-2H]- 422.05405 193.0
[M]+ 401.07883 193.5
[M]- 401.07993 193.5
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.