CID 36261

6,7-dimethoxy-4-(o-fluorobenzyl)isoquinoline hydrobromide

Structural Information

Molecular Formula
C18H16FNO2
SMILES
COC1=C(C=C2C(=C1)C=NC=C2CC3=CC=CC=C3F)OC
InChI
InChI=1S/C18H16FNO2/c1-21-17-8-14-11-20-10-13(15(14)9-18(17)22-2)7-12-5-3-4-6-16(12)19/h3-6,8-11H,7H2,1-2H3
InChIKey
NJRLUXHRSXPRRJ-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)methyl]-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.11652 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12380 168.4
[M+Na]+ 320.10574 178.3
[M-H]- 296.10924 173.8
[M+NH4]+ 315.15034 183.6
[M+K]+ 336.07968 173.2
[M+H-H2O]+ 280.11378 158.3
[M+HCOO]- 342.11472 189.1
[M+CH3COO]- 356.13037 205.6
[M+Na-2H]- 318.09119 173.8
[M]+ 297.11597 171.3
[M]- 297.11707 171.3
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

patents stripe