CID 16170

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

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CC1C2=CC(=C(C=C2CCN1CC3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C19H22ClNO2/c1-13-17-11-19(23-3)18(22-2)10-15(17)8-9-21(13)12-14-4-6-16(20)7-5-14/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKey
BCHQOHOZECOGIK-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 177.4
[M+Na]+ 354.12312 194.1
[M+NH4]+ 349.16772 186.8
[M+K]+ 370.09706 184.3
[M-H]- 330.12662 182.7
[M+Na-2H]- 352.10857 185.1
[M]+ 331.13335 181.9
[M]- 331.13445 181.9
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.