CID 783165

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

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
InChIKey
QRBOXOHKMGEZEA-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-chlorophenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

282.1135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 164.7
[M+Na]+ 305.10272 170.8
[M-H]- 281.10622 167.5
[M+NH4]+ 300.14732 178.5
[M+K]+ 321.07666 166.5
[M+H-H2O]+ 265.11076 156.0
[M+HCOO]- 327.11170 177.0
[M+CH3COO]- 341.12735 197.1
[M+Na-2H]- 303.08817 166.6
[M]+ 282.11295 164.6
[M]- 282.11405 164.6
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

patents stripe