CID 44669170

885269-46-5

Structural Information

Molecular Formula
C15H15NO5S
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C15H15NO5S/c1-21-13-6-2-11(3-7-13)12-4-8-14(9-5-12)22(19,20)16-10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
ABJHIYYOLIFZLZ-UHFFFAOYSA-N
Compound name
2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 170.5
[M+Na]+ 344.05632 181.4
[M+NH4]+ 339.10092 176.2
[M+K]+ 360.03026 175.0
[M-H]- 320.05982 172.3
[M+Na-2H]- 342.04177 177.0
[M]+ 321.06655 172.8
[M]- 321.06765 172.8
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