CID 40922501

(3r)-n-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC1NC(=O)[C@H]2CC3=CC=CC=C3CN2
InChI
InChI=1S/C13H16N2O/c16-13(15-11-5-6-11)12-7-9-3-1-2-4-10(9)8-14-12/h1-4,11-12,14H,5-8H2,(H,15,16)/t12-/m1/s1
InChIKey
FCHPUPJMTKOFON-GFCCVEGCSA-N
Compound name
(3R)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.7
[M+Na]+ 239.11549 162.3
[M+NH4]+ 234.16009 158.9
[M+K]+ 255.08943 157.1
[M-H]- 215.11899 160.0
[M+Na-2H]- 237.10094 158.3
[M]+ 216.12572 155.3
[M]- 216.12682 155.3
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.