CID 3068620

3,4-dihydro-n,n-dimethyl-1-phenyl-3-isoquinolineethanamine hydrochloride hydrate (1:2:1)

Structural Information

Molecular Formula
C19H22N2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3
InChIKey
RNTAQRJCOOQWTN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.17828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.2
[M+Na]+ 301.16750 173.1
[M-H]- 277.17100 173.9
[M+NH4]+ 296.21210 183.0
[M+K]+ 317.14144 168.5
[M+H-H2O]+ 261.17554 157.5
[M+HCOO]- 323.17648 188.3
[M+CH3COO]- 337.19213 178.2
[M+Na-2H]- 299.15295 172.9
[M]+ 278.17773 166.9
[M]- 278.17883 166.9
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

patents stripe