CID 3024629

1,2,3,4-tetrahydro-1-(2-chlorophenyl)-6,7-dimethoxy-2-phenylisoquinoline

Structural Information

Molecular Formula
C23H22ClNO2
SMILES
COC1=C(C=C2C(N(CCC2=C1)C3=CC=CC=C3)C4=CC=CC=C4Cl)OC
InChI
InChI=1S/C23H22ClNO2/c1-26-21-14-16-12-13-25(17-8-4-3-5-9-17)23(19(16)15-22(21)27-2)18-10-6-7-11-20(18)24/h3-11,14-15,23H,12-13H2,1-2H3
InChIKey
WOGBWKXVEKKSJS-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-6,7-dimethoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1339 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14118 191.9
[M+Na]+ 402.12312 200.2
[M-H]- 378.12662 200.5
[M+NH4]+ 397.16772 204.0
[M+K]+ 418.09706 193.1
[M+H-H2O]+ 362.13116 181.2
[M+HCOO]- 424.13210 205.5
[M+CH3COO]- 438.14775 201.6
[M+Na-2H]- 400.10857 194.2
[M]+ 379.13335 194.6
[M]- 379.13445 194.6
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.