CID 35918

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

Structural Information

Molecular Formula
C18H20FNO2
SMILES
COC1=C(C=C2CN(CCC2=C1)CC3=CC=CC=C3F)OC
InChI
InChI=1S/C18H20FNO2/c1-21-17-9-13-7-8-20(12-15(13)10-18(17)22-2)11-14-5-3-4-6-16(14)19/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKey
PRSNXBRIXWNEDM-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
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 172.2
[M+Na]+ 324.13702 186.7
[M+NH4]+ 319.18162 180.5
[M+K]+ 340.11096 177.9
[M-H]- 300.14052 175.8
[M+Na-2H]- 322.12247 179.2
[M]+ 301.14725 175.3
[M]- 301.14835 175.3
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

patents stripe