CID 3043103

4-((2-methoxyphenyl)methyl)-1-piperazinecarboxylic acid ethyl ester maleate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OC
InChI
InChI=1S/C15H22N2O3/c1-3-20-15(18)17-10-8-16(9-11-17)12-13-6-4-5-7-14(13)19-2/h4-7H,3,8-12H2,1-2H3
InChIKey
MLUHGWQUEJIWKH-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-methoxyphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 166.6
[M+Na]+ 301.15228 171.4
[M-H]- 277.15578 169.5
[M+NH4]+ 296.19688 179.6
[M+K]+ 317.12622 169.2
[M+H-H2O]+ 261.16032 157.1
[M+HCOO]- 323.16126 183.5
[M+CH3COO]- 337.17691 198.5
[M+Na-2H]- 299.13773 168.6
[M]+ 278.16251 166.3
[M]- 278.16361 166.3
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