CID 167736

3'-hydroxypapaverine

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)O
InChI
InChI=1S/C19H19NO4/c1-22-17-5-4-12(9-16(17)21)8-15-14-11-19(24-3)18(23-2)10-13(14)6-7-20-15/h4-7,9-11,21H,8H2,1-3H3
InChIKey
MTJSWIPYMFUEPW-UHFFFAOYSA-N
Compound name
5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

325.1314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.3
[M+Na]+ 348.12062 185.6
[M-H]- 324.12412 181.9
[M+NH4]+ 343.16522 189.8
[M+K]+ 364.09456 181.6
[M+H-H2O]+ 308.12866 167.1
[M+HCOO]- 370.12960 196.4
[M+CH3COO]- 384.14525 209.0
[M+Na-2H]- 346.10607 180.8
[M]+ 325.13085 182.0
[M]- 325.13195 182.0
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