CID 4644196

5,6,7-trimethoxyisoquinolin-1-ol

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=C(C(=C2C=CNC(=O)C2=C1)OC)OC
InChI
InChI=1S/C12H13NO4/c1-15-9-6-8-7(4-5-13-12(8)14)10(16-2)11(9)17-3/h4-6H,1-3H3,(H,13,14)
InChIKey
DJMXYPOBEYNJDS-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 149.1
[M+Na]+ 258.07368 163.3
[M+NH4]+ 253.11828 156.4
[M+K]+ 274.04762 157.3
[M-H]- 234.07718 150.2
[M+Na-2H]- 256.05913 154.7
[M]+ 235.08391 151.4
[M]- 235.08501 151.4
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.