CID 136002765

Dtxsid80905069

Structural Information

Molecular Formula
C16H14ClN5O4S
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)N=NC3=C(C=CC(=C3)S(=O)(=O)N)O
InChI
InChI=1S/C16H14ClN5O4S/c1-9-15(16(24)22(21-9)11-4-2-3-10(17)7-11)20-19-13-8-12(27(18,25)26)5-6-14(13)23/h2-8,21,23H,1H3,(H2,18,25,26)
InChIKey
CLVOCBREXRNAAB-UHFFFAOYSA-N
Compound name
3-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

407.0455 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05278 193.1
[M+Na]+ 430.03472 204.1
[M-H]- 406.03822 202.0
[M+NH4]+ 425.07932 203.6
[M+K]+ 446.00866 197.1
[M+H-H2O]+ 390.04276 185.0
[M+HCOO]- 452.04370 208.8
[M+CH3COO]- 466.05935 224.1
[M+Na-2H]- 428.02017 195.0
[M]+ 407.04495 198.0
[M]- 407.04605 198.0
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

patents stripe