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]+ 332.14118 178.3
[M+Na]+ 354.12312 187.2
[M-H]- 330.12662 184.2
[M+NH4]+ 349.16772 193.2
[M+K]+ 370.09706 181.4
[M+H-H2O]+ 314.13116 169.8
[M+HCOO]- 376.13210 192.2
[M+CH3COO]- 390.14775 211.4
[M+Na-2H]- 352.10857 180.6
[M]+ 331.13335 182.3
[M]- 331.13445 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.