CID 54695

Homodihydropapaverine hydrochloride

Structural Information

Molecular Formula
C21H25NO4
SMILES
COC1=C(C=C(C=C1)CCC2=NCCC3=CC(=C(C=C32)OC)OC)OC
InChI
InChI=1S/C21H25NO4/c1-23-18-8-6-14(11-19(18)24-2)5-7-17-16-13-21(26-4)20(25-3)12-15(16)9-10-22-17/h6,8,11-13H,5,7,9-10H2,1-4H3
InChIKey
HMBAIFXFCAVTSP-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 186.1
[M+Na]+ 378.16756 201.4
[M+NH4]+ 373.21216 193.7
[M+K]+ 394.14150 192.9
[M-H]- 354.17106 190.5
[M+Na-2H]- 376.15301 193.1
[M]+ 355.17779 189.7
[M]- 355.17889 189.7
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

No patent data available for this compound.