CID 35920

6,7-dimethoxy-2-(m-fluorobenzyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide

Structural Information

Molecular Formula
C18H20FNO2
SMILES
COC1=C(C=C2CN(CCC2=C1)CC3=CC(=CC=C3)F)OC
InChI
InChI=1S/C18H20FNO2/c1-21-17-9-14-6-7-20(12-15(14)10-18(17)22-2)11-13-4-3-5-16(19)8-13/h3-5,8-10H,6-7,11-12H2,1-2H3
InChIKey
OYLCOXRDSZGMEI-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

301.1478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15508 170.7
[M+Na]+ 324.13702 178.4
[M-H]- 300.14052 175.3
[M+NH4]+ 319.18162 185.6
[M+K]+ 340.11096 173.8
[M+H-H2O]+ 284.14506 160.6
[M+HCOO]- 346.14600 188.5
[M+CH3COO]- 360.16165 206.3
[M+Na-2H]- 322.12247 174.1
[M]+ 301.14725 170.7
[M]- 301.14835 170.7
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.