CID 3067295

1-piperazinehexanoic acid, 4-(2-methoxyphenyl)-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCOC(=O)CCCCCN1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C19H30N2O3/c1-3-24-19(22)11-5-4-8-12-20-13-15-21(16-14-20)17-9-6-7-10-18(17)23-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3
InChIKey
CIHZGUZHMVYGRE-UHFFFAOYSA-N
Compound name
ethyl 6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.22565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 184.2
[M+Na]+ 357.21487 194.9
[M+NH4]+ 352.25947 190.0
[M+K]+ 373.18881 187.8
[M-H]- 333.21837 186.0
[M+Na-2H]- 355.20032 188.7
[M]+ 334.22510 186.0
[M]- 334.22620 186.0
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

patents stripe