CID 3416224

Methyl (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate hydrochloride

Structural Information

Molecular Formula
C14H19NO4
SMILES
COC1=C(C=C2C(NCCC2=C1)CC(=O)OC)OC
InChI
InChI=1S/C14H19NO4/c1-17-12-6-9-4-5-15-11(8-14(16)19-3)10(9)7-13(12)18-2/h6-7,11,15H,4-5,8H2,1-3H3
InChIKey
NVXHORURRXLOGZ-UHFFFAOYSA-N
Compound name
methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

265.1314 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.2
[M+Na]+ 288.12062 171.5
[M+NH4]+ 283.16522 167.0
[M+K]+ 304.09456 166.1
[M-H]- 264.12412 160.6
[M+Na-2H]- 286.10607 163.4
[M]+ 265.13085 161.7
[M]- 265.13195 161.7
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