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]+ 280.18083 167.5
[M+Na]+ 302.16277 183.0
[M+NH4]+ 297.20737 176.8
[M+K]+ 318.13671 173.7
[M-H]- 278.16627 173.5
[M+Na-2H]- 300.14822 177.4
[M]+ 279.17300 171.6
[M]- 279.17410 171.6
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.