CID 3055209

Brn 2790797

Structural Information

Molecular Formula
C16H15N3O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H15N3O7S/c1-26-10-6-8-11(9-7-10)27(24,25)19-18-15(21)14(20)17-13-5-3-2-4-12(13)16(22)23/h2-9,19H,1H3,(H,17,20)(H,18,21)(H,22,23)
InChIKey
KCLMHLRKYUHDDH-UHFFFAOYSA-N
Compound name
2-[[2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.06308 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.07036 184.5
[M+Na]+ 416.05230 188.0
[M-H]- 392.05580 189.4
[M+NH4]+ 411.09690 193.2
[M+K]+ 432.02624 185.7
[M+H-H2O]+ 376.06034 175.7
[M+HCOO]- 438.06128 201.8
[M+CH3COO]- 452.07693 220.0
[M+Na-2H]- 414.03775 187.7
[M]+ 393.06253 186.7
[M]- 393.06363 186.7
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.