CID 21336

4-methoxy-1,3-dioxolo(4,5-g)isoquinoline hydrochloride

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=C2C=NC=CC2=CC3=C1OCO3
InChI
InChI=1S/C11H9NO3/c1-13-10-8-5-12-3-2-7(8)4-9-11(10)15-6-14-9/h2-5H,6H2,1H3
InChIKey
DYHYOYFSCMNDMX-UHFFFAOYSA-N
Compound name
4-methoxy-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.4
[M+Na]+ 226.04746 154.0
[M+NH4]+ 221.09206 148.9
[M+K]+ 242.02140 149.7
[M-H]- 202.05096 144.5
[M+Na-2H]- 224.03291 144.6
[M]+ 203.05769 143.1
[M]- 203.05879 143.1
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