CID 275192

Papaverinol

Structural Information

Molecular Formula
C20H21NO5
SMILES
COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC
InChI
InChI=1S/C20H21NO5/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/h5-11,20,22H,1-4H3
InChIKey
JJZIJKXUHDFVGX-UHFFFAOYSA-N
Compound name
(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

5
Patents

355.14197 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.149246 183.5
[M+Na]+ 378.131188 191.7
[M-H]- 354.134694 189.0
[M+NH4]+ 373.175793 195.5
[M+K]+ 394.105128 188.9
[M+H-H2O]+ 338.139230 174.0
[M+HCOO]- 400.140171 202.4
[M+CH3COO]- 414.155821 215.1
[M+Na-2H]- 376.116636 186.4
[M]+ 355.14142142 190.3
[M]- 355.14251858 190.3
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