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
1
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 176.7
[M+Na]+ 347.15774 185.4
[M+NH4]+ 342.20234 180.9
[M+K]+ 363.13168 181.7
[M-H]- 323.16124 176.2
[M+Na-2H]- 345.14319 179.5
[M]+ 324.16797 177.2
[M]- 324.16907 177.2
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.