CID 4563009

51254-35-4

Structural Information

Molecular Formula

C₁₅H₁₉NO₄

SMILES

CC(=O)CC1C2=C(C3=C(C=C2CCN1C)OCO3)OC

InChI

InChI=1S/C15H19NO4/c1-9(17)6-11-13-10(4-5-16(11)2)7-12-14(15(13)18-3)20-8-19-12/h7,11H,4-6,8H2,1-3H3

InChIKey

NUSQKVCQWJLSEH-UHFFFAOYSA-N

Compound name

1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.1314 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.138676	163.1
[M+Na]+	300.120618	171.1
[M-H]-	276.124124	168.3
[M+NH4]+	295.165223	179.4
[M+K]+	316.094558	170.8
[M+H-H2O]+	260.128660	156.8
[M+HCOO]-	322.129601	178.4
[M+CH3COO]-	336.145251	201.5
[M+Na-2H]-	298.106066	166.1
[M]+	277.13085142	166.8
[M]-	277.13194858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe