CID 296066

51688-31-4

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
COC(=O)CNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O4S/c1-21-15(18)10-17-12-4-8-14(9-5-12)22(19,20)13-6-2-11(16)3-7-13/h2-9,17H,10,16H2,1H3
InChIKey
QNGZEEFSBJSFMX-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-aminophenyl)sulfonylanilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.08307 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 171.3
[M+Na]+ 343.07229 177.9
[M-H]- 319.07579 177.6
[M+NH4]+ 338.11689 184.8
[M+K]+ 359.04623 173.8
[M+H-H2O]+ 303.08033 163.3
[M+HCOO]- 365.08127 190.2
[M+CH3COO]- 379.09692 207.2
[M+Na-2H]- 341.05774 174.6
[M]+ 320.08252 173.5
[M]- 320.08362 173.5
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.