CID 500044

117309-46-3

Structural Information

Molecular Formula
C15H15NO5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)
InChIKey
AFNBBRUKSKERPY-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.0671 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07438 170.1
[M+Na]+ 344.05632 175.6
[M-H]- 320.05982 175.3
[M+NH4]+ 339.10092 182.9
[M+K]+ 360.03026 172.3
[M+H-H2O]+ 304.06436 162.5
[M+HCOO]- 366.06530 186.4
[M+CH3COO]- 380.08095 202.6
[M+Na-2H]- 342.04177 173.3
[M]+ 321.06655 172.7
[M]- 321.06765 172.7
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

patents stripe