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]+ 338.06928 172.9
[M+Na]+ 360.05122 179.3
[M-H]- 336.05472 178.3
[M+NH4]+ 355.09582 185.3
[M+K]+ 376.02516 176.1
[M+H-H2O]+ 320.05926 165.0
[M+HCOO]- 382.06020 190.4
[M+CH3COO]- 396.07585 205.2
[M+Na-2H]- 358.03667 176.8
[M]+ 337.06145 177.9
[M]- 337.06255 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.