CID 9588878

Methyl 2-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)benzoate

Structural Information

Molecular Formula
C16H13N3O4S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H13N3O4S/c1-23-16(20)14-4-2-3-5-15(14)24(21,22)19-18-11-13-8-6-12(10-17)7-9-13/h2-9,11,19H,1H3/b18-11+
InChIKey
PRRGCUQYGQNKCA-WOJGMQOQSA-N
Compound name
methyl 2-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.06268 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06996 176.7
[M+Na]+ 366.05190 186.8
[M+NH4]+ 361.09650 179.0
[M+K]+ 382.02584 176.7
[M-H]- 342.05540 172.2
[M+Na-2H]- 364.03735 180.9
[M]+ 343.06213 176.2
[M]- 343.06323 176.2
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.