CID 494159

1-benzyl-6,7-dimethoxy-2-methyl-2lambda(5)-isoquinoline

Structural Information

Molecular Formula
C19H20NO2
SMILES
C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=CC=C3
InChI
InChI=1S/C19H20NO2/c1-20-10-9-15-12-18(21-2)19(22-3)13-16(15)17(20)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3/q+1
InChIKey
IABYMOPVGIZIMO-UHFFFAOYSA-N
Compound name
1-benzyl-6,7-dimethoxy-2-methylisoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1494 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15668 173.4
[M+Na]+ 317.13862 182.3
[M-H]- 293.14212 180.2
[M+NH4]+ 312.18322 188.4
[M+K]+ 333.11256 172.1
[M+H-H2O]+ 277.14666 166.7
[M+HCOO]- 339.14760 194.3
[M+CH3COO]- 353.16325 199.4
[M+Na-2H]- 315.12407 180.9
[M]+ 294.14885 176.3
[M]- 294.14995 176.3
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.