CID 10655298

(3s)-n-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
CNC(=O)[C@@H]1CC2=CC=CC=C2CN1
InChI
InChI=1S/C11H14N2O/c1-12-11(14)10-6-8-4-2-3-5-9(8)7-13-10/h2-5,10,13H,6-7H2,1H3,(H,12,14)/t10-/m0/s1
InChIKey
FPGCNHBNSLPKMJ-JTQLQIEISA-N
Compound name
(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.9
[M+Na]+ 213.09983 153.2
[M+NH4]+ 208.14443 150.4
[M+K]+ 229.07377 146.8
[M-H]- 189.10333 144.0
[M+Na-2H]- 211.08528 147.3
[M]+ 190.11006 143.8
[M]- 190.11116 143.8
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