CID 3068702

3,4-dihydro-n,n-dimethyl-1-(3-pyridinyl)-3-isoquinolineethanamine ethanedioate (salt)

Structural Information

Molecular Formula
C18H21N3
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CN=CC=C3
InChI
InChI=1S/C18H21N3/c1-21(2)11-9-16-12-14-6-3-4-8-17(14)18(20-16)15-7-5-10-19-13-15/h3-8,10,13,16H,9,11-12H2,1-2H3
InChIKey
REXCCSUQVLYVTK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-pyridin-3-yl-3,4-dihydroisoquinolin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.180826 167.5
[M+Na]+ 302.162768 173.8
[M-H]- 278.166274 172.9
[M+NH4]+ 297.207373 181.8
[M+K]+ 318.136708 169.1
[M+H-H2O]+ 262.170810 156.9
[M+HCOO]- 324.171751 187.6
[M+CH3COO]- 338.187401 178.1
[M+Na-2H]- 300.148216 173.9
[M]+ 279.17300142 167.3
[M]- 279.17409858 167.3
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.