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 186.3
[M+Na]+ 378.16756 194.1
[M-H]- 354.17106 192.4
[M+NH4]+ 373.21216 199.1
[M+K]+ 394.14150 190.6
[M+H-H2O]+ 338.17560 176.3
[M+HCOO]- 400.17654 205.8
[M+CH3COO]- 414.19219 217.6
[M+Na-2H]- 376.15301 189.1
[M]+ 355.17779 193.0
[M]- 355.17889 193.0
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

No patent data available for this compound.