CID 3067709

81865-31-8

Structural Information

Molecular Formula
C11H14N2O5S
SMILES
CC(=O)N(CC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H14N2O5S/c1-8(14)13(7-11(15)18-2)19(16,17)10-5-3-9(12)4-6-10/h3-6H,7,12H2,1-2H3
InChIKey
PPDHIFUOEGNDST-UHFFFAOYSA-N
Compound name
methyl 2-[acetyl-(4-aminophenyl)sulfonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06235 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06963 161.7
[M+Na]+ 309.05157 168.8
[M+NH4]+ 304.09617 166.3
[M+K]+ 325.02551 165.3
[M-H]- 285.05507 161.0
[M+Na-2H]- 307.03702 164.7
[M]+ 286.06180 162.5
[M]- 286.06290 162.5
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.