CID 22176

3,4-dihydropapaverine

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12H,7-9H2,1-4H3
InChIKey
UCJDFFOXXPPGLJ-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

63
Patents

341.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.5
[M+Na]+ 364.15194 197.1
[M+NH4]+ 359.19654 189.3
[M+K]+ 380.12588 188.8
[M-H]- 340.15544 186.0
[M+Na-2H]- 362.13739 188.8
[M]+ 341.16217 185.2
[M]- 341.16327 185.2
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