CID 3055211

Brn 2787461

Structural Information

Molecular Formula
C15H12ClN3O6S
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClN3O6S/c16-9-5-7-10(8-6-9)26(24,25)19-18-14(21)13(20)17-12-4-2-1-3-11(12)15(22)23/h1-8,19H,(H,17,20)(H,18,21)(H,22,23)
InChIKey
SXAOYSJPKYTYDD-UHFFFAOYSA-N
Compound name
2-[[2-[2-(4-chlorophenyl)sulfonylhydrazinyl]-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.01352 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.02080 183.0
[M+Na]+ 420.00274 188.1
[M-H]- 396.00624 188.5
[M+NH4]+ 415.04734 192.9
[M+K]+ 435.97668 183.8
[M+H-H2O]+ 380.01078 176.1
[M+HCOO]- 442.01172 196.3
[M+CH3COO]- 456.02737 218.1
[M+Na-2H]- 417.98819 186.1
[M]+ 397.01297 186.0
[M]- 397.01407 186.0
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

No patent data available for this compound.