CID 3054887

Brn 2784406

Structural Information

Molecular Formula
C15H13N3O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H13N3O6S/c19-13(16-12-9-5-4-8-11(12)15(21)22)14(20)17-18-25(23,24)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H,17,20)(H,21,22)
InChIKey
HWVXRGOTQWZNOF-UHFFFAOYSA-N
Compound name
2-[[2-[2-(benzenesulfonyl)hydrazinyl]-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.05252 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05980 177.7
[M+Na]+ 386.04174 181.3
[M-H]- 362.04524 182.6
[M+NH4]+ 381.08634 187.6
[M+K]+ 402.01568 178.3
[M+H-H2O]+ 346.04978 169.2
[M+HCOO]- 408.05072 195.3
[M+CH3COO]- 422.06637 213.3
[M+Na-2H]- 384.02719 181.7
[M]+ 363.05197 177.8
[M]- 363.05307 177.8
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.