CID 9588876

Methyl 2-(((phenylmethylene)hydrazino)sulfonyl)benzoate

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]+ 319.07468 170.7
[M+Na]+ 341.05662 177.3
[M-H]- 317.06012 178.7
[M+NH4]+ 336.10122 185.0
[M+K]+ 357.03056 173.7
[M+H-H2O]+ 301.06466 162.2
[M+HCOO]- 363.06560 192.0
[M+CH3COO]- 377.08125 207.3
[M+Na-2H]- 339.04207 176.0
[M]+ 318.06685 174.5
[M]- 318.06795 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.