CID 9588879

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

Structural Information

Molecular Formula
C15H13N3O6S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O6S/c1-24-15(19)13-4-2-3-5-14(13)25(22,23)17-16-10-11-6-8-12(9-7-11)18(20)21/h2-10,17H,1H3/b16-10+
InChIKey
UYZMBIOVNCLBJH-MHWRWJLKSA-N
Compound name
methyl 2-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.05252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05980 177.8
[M+Na]+ 386.04174 182.5
[M-H]- 362.04524 185.6
[M+NH4]+ 381.08634 188.9
[M+K]+ 402.01568 175.3
[M+H-H2O]+ 346.04978 173.1
[M+HCOO]- 408.05072 199.6
[M+CH3COO]- 422.06637 209.2
[M+Na-2H]- 384.02719 185.1
[M]+ 363.05197 179.7
[M]- 363.05307 179.7
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.