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]+ 356.185616 186.3
[M+Na]+ 378.167558 194.1
[M-H]- 354.171064 192.4
[M+NH4]+ 373.212163 199.1
[M+K]+ 394.141498 190.6
[M+H-H2O]+ 338.175600 176.3
[M+HCOO]- 400.176541 205.8
[M+CH3COO]- 414.192191 217.6
[M+Na-2H]- 376.153006 189.1
[M]+ 355.17779142 193.0
[M]- 355.17888858 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.