CID 3068622

3,4-dihydro-7-chloro-n,n-dimethyl-1-phenyl-3-isoquinolineethanamine ethanedioate (1:1)

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CN(C)CCC1CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H21ClN2/c1-22(2)11-10-17-12-15-8-9-16(20)13-18(15)19(21-17)14-6-4-3-5-7-14/h3-9,13,17H,10-12H2,1-2H3
InChIKey
JUBWYMYFVDWAAX-UHFFFAOYSA-N
Compound name
2-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1393 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14658 174.3
[M+Na]+ 335.12852 191.0
[M+NH4]+ 330.17312 184.5
[M+K]+ 351.10246 180.4
[M-H]- 311.13202 181.2
[M+Na-2H]- 333.11397 184.1
[M]+ 312.13875 179.2
[M]- 312.13985 179.2
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.