CID 22654

1,3-dioxolo(4,5-g)isoquinoline, 7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C19H19NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NCCC3=CC4=C(C=C32)OCO4
InChI
InChI=1S/C19H19NO5/c1-21-16-7-12(8-17(22-2)19(16)23-3)18-13-9-15-14(24-10-25-15)6-11(13)4-5-20-18/h6-9H,4-5,10H2,1-3H3
InChIKey
HGZXEFNCTZOODY-UHFFFAOYSA-N
Compound name
5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 178.0
[M+Na]+ 364.11552 187.2
[M-H]- 340.11902 187.0
[M+NH4]+ 359.16012 191.5
[M+K]+ 380.08946 186.4
[M+H-H2O]+ 324.12356 169.7
[M+HCOO]- 386.12450 195.7
[M+CH3COO]- 400.14015 189.8
[M+Na-2H]- 362.10097 182.3
[M]+ 341.12575 184.9
[M]- 341.12685 184.9
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.