CID 4962603

3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C13H15NO4
SMILES
COC(C1=CC2=CC=CC=C2C(=O)N1)(OC)OC
InChI
InChI=1S/C13H15NO4/c1-16-13(17-2,18-3)11-8-9-6-4-5-7-10(9)12(15)14-11/h4-8H,1-3H3,(H,14,15)
InChIKey
NQBRJQFNQDAFOV-UHFFFAOYSA-N
Compound name
3-(trimethoxymethyl)-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 153.6
[M+Na]+ 272.08933 166.6
[M+NH4]+ 267.13393 160.6
[M+K]+ 288.06327 161.2
[M-H]- 248.09283 154.0
[M+Na-2H]- 270.07478 159.5
[M]+ 249.09956 155.5
[M]- 249.10066 155.5
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

No patent data available for this compound.