CID 9588876

Benzoic acid, 2-(((phenylmethylene)hydrazino)sulfonyl)-, methyl ester

Structural Information

Molecular Formula
C15H14N2O4S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C15H14N2O4S/c1-21-15(18)13-9-5-6-10-14(13)22(19,20)17-16-11-12-7-3-2-4-8-12/h2-11,17H,1H3/b16-11+
InChIKey
UCRRMNXNZZEAAT-LFIBNONCSA-N
Compound name
methyl 2-[[(E)-benzylideneamino]sulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0674 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.074676 170.7
[M+Na]+ 341.056618 177.3
[M-H]- 317.060124 178.7
[M+NH4]+ 336.101223 185.0
[M+K]+ 357.030558 173.7
[M+H-H2O]+ 301.064660 162.2
[M+HCOO]- 363.065601 192.0
[M+CH3COO]- 377.081251 207.3
[M+Na-2H]- 339.042066 176.0
[M]+ 318.06685142 174.5
[M]- 318.06794858 174.5
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.