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 184.1
[M+Na]+ 416.05230 190.4
[M+NH4]+ 411.09690 186.5
[M+K]+ 432.02624 187.5
[M-H]- 392.05580 184.3
[M+Na-2H]- 414.03775 188.4
[M]+ 393.06253 184.8
[M]- 393.06363 184.8
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.