CID 96932

Papaveraldine

Structural Information

Molecular Formula
C20H19NO5
SMILES
COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC
InChI
InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3
InChIKey
QJTBIAMBPGGIGI-UHFFFAOYSA-N
Compound name
(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

92
Patents

353.1263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 182.0
[M+Na]+ 376.11552 191.0
[M-H]- 352.11902 188.9
[M+NH4]+ 371.16012 194.7
[M+K]+ 392.08946 188.3
[M+H-H2O]+ 336.12356 172.2
[M+HCOO]- 398.12450 202.6
[M+CH3COO]- 412.14015 216.7
[M+Na-2H]- 374.10097 185.4
[M]+ 353.12575 189.9
[M]- 353.12685 189.9
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

patents stripe