CID 45483

63937-49-5

Structural Information

Molecular Formula
C20H23Cl2NO2
SMILES
CN1CCC2=CC(=C(C=C2C1CCC3=C(C(=CC=C3)Cl)Cl)OC)OC
InChI
InChI=1S/C20H23Cl2NO2/c1-23-10-9-14-11-18(24-2)19(25-3)12-15(14)17(23)8-7-13-5-4-6-16(21)20(13)22/h4-6,11-12,17H,7-10H2,1-3H3
InChIKey
VGQBGHMODQMJEJ-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dichlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1106 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11788 188.2
[M+Na]+ 402.09982 197.9
[M-H]- 378.10332 193.4
[M+NH4]+ 397.14442 202.0
[M+K]+ 418.07376 191.0
[M+H-H2O]+ 362.10786 180.3
[M+HCOO]- 424.10880 196.7
[M+CH3COO]- 438.12445 219.5
[M+Na-2H]- 400.08527 188.5
[M]+ 379.11005 194.3
[M]- 379.11115 194.3
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.