CID 45505

Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorobenzyl)-6,7-dimethoxy-2-methyl-, hydrobromide

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C19H22ClNO2/c1-21-9-8-14-11-18(22-2)19(23-3)12-16(14)17(21)10-13-4-6-15(20)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3
InChIKey
VRNRIDOHSKYZHB-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 178.3
[M+Na]+ 354.123118 187.2
[M-H]- 330.126624 184.2
[M+NH4]+ 349.167723 193.2
[M+K]+ 370.097058 181.4
[M+H-H2O]+ 314.131160 169.8
[M+HCOO]- 376.132101 192.2
[M+CH3COO]- 390.147751 211.4
[M+Na-2H]- 352.108566 180.6
[M]+ 331.13335142 182.3
[M]- 331.13444858 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.