CID 782702

4-((4-methoxyphenyl)methyl)-1-piperazinecarboxylic acid ethyl ester maleate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H22N2O3/c1-3-20-15(18)17-10-8-16(9-11-17)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKey
VUBGZIROYCJGOB-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 166.7
[M+Na]+ 301.15228 178.3
[M+NH4]+ 296.19688 173.2
[M+K]+ 317.12622 172.1
[M-H]- 277.15578 168.6
[M+Na-2H]- 299.13773 172.2
[M]+ 278.16251 168.7
[M]- 278.16361 168.7
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.