CID 3049465

1-piperazinecarboxylic acid, 4-(2-(3,4-dihydro-2(1h)-isoquinolinyl)ethyl)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CCOC(=O)N1CCN(CC1)CCN2CCC3=CC=CC=C3C2
InChI
InChI=1S/C18H27N3O2/c1-2-23-18(22)21-13-11-19(12-14-21)9-10-20-8-7-16-5-3-4-6-17(16)15-20/h3-6H,2,7-15H2,1H3
InChIKey
WFAYJDDACCYISM-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 179.9
[M+Na]+ 340.19955 182.6
[M-H]- 316.20305 181.0
[M+NH4]+ 335.24415 190.4
[M+K]+ 356.17349 178.4
[M+H-H2O]+ 300.20759 168.6
[M+HCOO]- 362.20853 190.8
[M+CH3COO]- 376.22418 206.6
[M+Na-2H]- 338.18500 181.1
[M]+ 317.20978 175.3
[M]- 317.21088 175.3
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

No patent data available for this compound.