CID 4060727

Ethyl 3,4-dihydro-6,7-dimethoxy-1-isoquinolinecarboxylate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC(=O)C1=NCCC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C14H17NO4/c1-4-19-14(16)13-10-8-12(18-3)11(17-2)7-9(10)5-6-15-13/h7-8H,4-6H2,1-3H3
InChIKey
OVCWPIJTPDRWMD-UHFFFAOYSA-N
Compound name
ethyl 6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.0
[M+Na]+ 286.10497 166.2
[M-H]- 262.10847 161.3
[M+NH4]+ 281.14957 174.7
[M+K]+ 302.07891 164.6
[M+H-H2O]+ 246.11301 150.5
[M+HCOO]- 308.11395 178.0
[M+CH3COO]- 322.12960 197.9
[M+Na-2H]- 284.09042 162.7
[M]+ 263.11520 163.1
[M]- 263.11630 163.1
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