CID 3068660

3,4-dihydro-n,n-dimethyl-1-phenyl-3-isoquinolinepropanamine ethanedioate

Structural Information

Molecular Formula
C20H24N2
SMILES
CN(C)CCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2/c1-22(2)14-8-12-18-15-17-11-6-7-13-19(17)20(21-18)16-9-4-3-5-10-16/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3
InChIKey
TWJXRLRIROGPAL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine
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 171.8
[M+Na]+ 315.18316 177.2
[M-H]- 291.18666 178.3
[M+NH4]+ 310.22776 187.0
[M+K]+ 331.15710 172.4
[M+H-H2O]+ 275.19120 161.9
[M+HCOO]- 337.19214 192.6
[M+CH3COO]- 351.20779 182.4
[M+Na-2H]- 313.16861 177.0
[M]+ 292.19339 171.9
[M]- 292.19449 171.9
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.