CID 291933

Chembl173574

Structural Information

Molecular Formula
C14H18N2O6S
SMILES
CCOC(=O)C(C=NC1=CC=C(C=C1)S(=O)(=O)N)C(=O)OCC
InChI
InChI=1S/C14H18N2O6S/c1-3-21-13(17)12(14(18)22-4-2)9-16-10-5-7-11(8-6-10)23(15,19)20/h5-9,12H,3-4H2,1-2H3,(H2,15,19,20)
InChIKey
AVWFYWCHXPAPRA-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-sulfamoylphenyl)iminomethyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.08856 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09584 176.2
[M+Na]+ 365.07778 180.9
[M-H]- 341.08128 180.0
[M+NH4]+ 360.12238 189.2
[M+K]+ 381.05172 179.5
[M+H-H2O]+ 325.08582 168.4
[M+HCOO]- 387.08676 194.1
[M+CH3COO]- 401.10241 212.5
[M+Na-2H]- 363.06323 176.7
[M]+ 342.08801 182.0
[M]- 342.08911 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.