CID 3068622

83658-24-6

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]+ 313.146576 174.5
[M+Na]+ 335.128518 182.2
[M-H]- 311.132024 181.3
[M+NH4]+ 330.173123 190.1
[M+K]+ 351.102458 175.9
[M+H-H2O]+ 295.136560 165.4
[M+HCOO]- 357.137501 191.0
[M+CH3COO]- 371.153151 185.4
[M+Na-2H]- 333.113966 178.9
[M]+ 312.13875142 177.0
[M]- 312.13984858 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.