CID 36267

4-benzyl-6,7-dimethoxyisoquinoline hydrobromide

Structural Information

Molecular Formula
C18H17NO2
SMILES
COC1=C(C=C2C(=C1)C=NC=C2CC3=CC=CC=C3)OC
InChI
InChI=1S/C18H17NO2/c1-20-17-9-15-12-19-11-14(16(15)10-18(17)21-2)8-13-6-4-3-5-7-13/h3-7,9-12H,8H2,1-2H3
InChIKey
USQUPEWHXAJDJV-UHFFFAOYSA-N
Compound name
4-benzyl-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.12592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 165.0
[M+Na]+ 302.11514 173.8
[M-H]- 278.11864 171.4
[M+NH4]+ 297.15974 180.6
[M+K]+ 318.08908 169.2
[M+H-H2O]+ 262.12318 155.7
[M+HCOO]- 324.12412 186.7
[M+CH3COO]- 338.13977 177.0
[M+Na-2H]- 300.10059 171.8
[M]+ 279.12537 168.4
[M]- 279.12647 168.4
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