CID 105632

67800-97-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

407.0455 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.052776 193.1
[M+Na]+ 430.034718 204.1
[M-H]- 406.038224 202.0
[M+NH4]+ 425.079323 203.6
[M+K]+ 446.008658 197.1
[M+H-H2O]+ 390.042760 185.0
[M+HCOO]- 452.043701 208.8
[M+CH3COO]- 466.059351 224.1
[M+Na-2H]- 428.020166 195.0
[M]+ 407.04495142 198.0
[M]- 407.04604858 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