CID 3539193

((4-(2-methoxyphenoxy)phenyl)sulfonyl)glycine

Structural Information

Molecular Formula
C15H15NO6S
SMILES
COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C15H15NO6S/c1-21-13-4-2-3-5-14(13)22-11-6-8-12(9-7-11)23(19,20)16-10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
DZNJJWSFCHVVBA-UHFFFAOYSA-N
Compound name
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.062 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.069276 172.9
[M+Na]+ 360.051218 179.3
[M-H]- 336.054724 178.3
[M+NH4]+ 355.095823 185.3
[M+K]+ 376.025158 176.1
[M+H-H2O]+ 320.059260 165.0
[M+HCOO]- 382.060201 190.4
[M+CH3COO]- 396.075851 205.2
[M+Na-2H]- 358.036666 176.8
[M]+ 337.06145142 177.9
[M]- 337.06254858 177.9
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.