CID 3024629

96719-69-6

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]+ 380.141176 191.9
[M+Na]+ 402.123118 200.2
[M-H]- 378.126624 200.5
[M+NH4]+ 397.167723 204.0
[M+K]+ 418.097058 193.1
[M+H-H2O]+ 362.131160 181.2
[M+HCOO]- 424.132101 205.5
[M+CH3COO]- 438.147751 201.6
[M+Na-2H]- 400.108566 194.2
[M]+ 379.13335142 194.6
[M]- 379.13444858 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.