CID 37371

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

Structural Information

Molecular Formula
C18H20FNO2
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC(=CC=C3)F)OC
InChI
InChI=1S/C18H20FNO2/c1-21-17-10-13-6-7-20-16(15(13)11-18(17)22-2)9-12-4-3-5-14(19)8-12/h3-5,8,10-11,16,20H,6-7,9H2,1-2H3
InChIKey
JDRPVLLUUKWEDX-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15508 172.4
[M+Na]+ 324.13702 186.4
[M+NH4]+ 319.18162 180.4
[M+K]+ 340.11096 177.9
[M-H]- 300.14052 175.5
[M+Na-2H]- 322.12247 178.9
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.