CID 13275587

2(1h)-isoquinolinepropanoic acid, 3,4-dihydro-6,7-dimethoxy-1-methyl-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC1C2=CC(=C(C=C2CCN1CCC(=O)OC)OC)OC
InChI
InChI=1S/C16H23NO4/c1-11-13-10-15(20-3)14(19-2)9-12(13)5-7-17(11)8-6-16(18)21-4/h9-11H,5-8H2,1-4H3
InChIKey
MNYZHQHJUOAMER-UHFFFAOYSA-N
Compound name
methyl 3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 168.4
[M+Na]+ 316.151938 175.5
[M-H]- 292.155444 171.2
[M+NH4]+ 311.196543 184.1
[M+K]+ 332.125878 173.7
[M+H-H2O]+ 276.159980 160.8
[M+HCOO]- 338.160921 186.2
[M+CH3COO]- 352.176571 205.5
[M+Na-2H]- 314.137386 170.3
[M]+ 293.16217142 173.1
[M]- 293.16326858 173.1
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.