CID 3068646

3,4-dihydro-n,n-dimethyl-1-(2-methylphenyl)-3-isoquinolineethanamine ethanedioate (1:2)

Structural Information

Molecular Formula
C20H24N2
SMILES
CC1=CC=CC=C1C2=NC(CC3=CC=CC=C32)CCN(C)C
InChI
InChI=1S/C20H24N2/c1-15-8-4-6-10-18(15)20-19-11-7-5-9-16(19)14-17(21-20)12-13-22(2)3/h4-11,17H,12-14H2,1-3H3
InChIKey
HLHHVQFAVFNIKP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(2-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 172.3
[M+Na]+ 315.18316 188.0
[M+NH4]+ 310.22776 182.2
[M+K]+ 331.15710 178.1
[M-H]- 291.18666 179.2
[M+Na-2H]- 313.16861 181.9
[M]+ 292.19339 176.8
[M]- 292.19449 176.8
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

No patent data available for this compound.