CID 91810630

172430-48-7

Structural Information

Molecular Formula
C16H24N2O5
SMILES
COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(=O)O)O
InChI
InChI=1S/C16H24N2O5/c1-22-14-4-2-3-5-15(14)23-12-13(19)10-17-6-8-18(9-7-17)11-16(20)21/h2-5,13,19H,6-12H2,1H3,(H,20,21)
InChIKey
VSJIQXMQDMIROR-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.175796 175.9
[M+Na]+ 347.157738 178.6
[M-H]- 323.161244 175.8
[M+NH4]+ 342.202343 185.1
[M+K]+ 363.131678 176.3
[M+H-H2O]+ 307.165780 166.5
[M+HCOO]- 369.166721 188.7
[M+CH3COO]- 383.182371 203.2
[M+Na-2H]- 345.143186 175.6
[M]+ 324.16797142 174.7
[M]- 324.16906858 174.7
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.