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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.1
[M+Na]+ 300.12062 171.1
[M-H]- 276.12412 168.3
[M+NH4]+ 295.16522 179.4
[M+K]+ 316.09456 170.8
[M+H-H2O]+ 260.12866 156.8
[M+HCOO]- 322.12960 178.4
[M+CH3COO]- 336.14525 201.5
[M+Na-2H]- 298.10607 166.1
[M]+ 277.13085 166.8
[M]- 277.13195 166.8
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

patents stripe