CID 3416224

1172366-78-7

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

4
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 159.9
[M+Na]+ 288.12062 166.6
[M-H]- 264.12412 161.3
[M+NH4]+ 283.16522 175.7
[M+K]+ 304.09456 164.4
[M+H-H2O]+ 248.12866 152.7
[M+HCOO]- 310.12960 176.9
[M+CH3COO]- 324.14525 195.8
[M+Na-2H]- 286.10607 163.1
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.