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 174.5
[M+Na]+ 335.12852 182.2
[M-H]- 311.13202 181.3
[M+NH4]+ 330.17312 190.1
[M+K]+ 351.10246 175.9
[M+H-H2O]+ 295.13656 165.4
[M+HCOO]- 357.13750 191.0
[M+CH3COO]- 371.15315 185.4
[M+Na-2H]- 333.11397 178.9
[M]+ 312.13875 177.0
[M]- 312.13985 177.0
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.