CID 91810630

Cvt-3369

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]+ 325.17580 175.9
[M+Na]+ 347.15774 178.6
[M-H]- 323.16124 175.8
[M+NH4]+ 342.20234 185.1
[M+K]+ 363.13168 176.3
[M+H-H2O]+ 307.16578 166.5
[M+HCOO]- 369.16672 188.7
[M+CH3COO]- 383.18237 203.2
[M+Na-2H]- 345.14319 175.6
[M]+ 324.16797 174.7
[M]- 324.16907 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.