CID 3045628

4-((2,4,6-trimethylphenyl)methyl)-1-piperazinecarboxylic acid ethyl ester maleate

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCOC(=O)N1CCN(CC1)CC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C17H26N2O2/c1-5-21-17(20)19-8-6-18(7-9-19)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3
InChIKey
OWSBSLJSROVBKD-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.3
[M+Na]+ 313.18865 178.4
[M-H]- 289.19215 175.7
[M+NH4]+ 308.23325 185.6
[M+K]+ 329.16259 175.1
[M+H-H2O]+ 273.19669 163.2
[M+HCOO]- 335.19763 188.3
[M+CH3COO]- 349.21328 204.8
[M+Na-2H]- 311.17410 171.7
[M]+ 290.19888 172.1
[M]- 290.19998 172.1
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.