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 161.0
[M+Na]+ 309.05157 167.0
[M-H]- 285.05507 165.5
[M+NH4]+ 304.09617 176.4
[M+K]+ 325.02551 166.2
[M+H-H2O]+ 269.05961 153.9
[M+HCOO]- 331.06055 179.4
[M+CH3COO]- 345.07620 202.9
[M+Na-2H]- 307.03702 162.6
[M]+ 286.06180 165.1
[M]- 286.06290 165.1
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.