CID 10657955

(3r)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN(CC1)C(=O)[C@@H]2CC3=CC=CC=C3CN2
InChI
InChI=1S/C15H20N2O/c18-15(17-8-4-1-5-9-17)14-10-12-6-2-3-7-13(12)11-16-14/h2-3,6-7,14,16H,1,4-5,8-11H2/t14-/m0/s1
InChIKey
ZCYXCLHBGPYIOE-AWEZNQCLSA-N
Compound name
piperidin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 158.3
[M+Na]+ 267.14678 161.1
[M-H]- 243.15028 159.7
[M+NH4]+ 262.19138 172.3
[M+K]+ 283.12072 156.4
[M+H-H2O]+ 227.15482 148.9
[M+HCOO]- 289.15576 170.0
[M+CH3COO]- 303.17141 166.8
[M+Na-2H]- 265.13223 161.4
[M]+ 244.15701 148.7
[M]- 244.15811 148.7
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