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 190.1
[M+Na]+ 366.05190 199.1
[M-H]- 342.05540 196.9
[M+NH4]+ 361.09650 201.9
[M+K]+ 382.02584 194.7
[M+H-H2O]+ 326.05994 175.1
[M+HCOO]- 388.06088 206.8
[M+CH3COO]- 402.07653 221.7
[M+Na-2H]- 364.03735 192.6
[M]+ 343.06213 188.5
[M]- 343.06323 188.5
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.