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
4
Annotation Hits

2
References

75
Patents

341.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 181.7
[M+Na]+ 364.151938 190.0
[M-H]- 340.155444 188.0
[M+NH4]+ 359.196543 195.1
[M+K]+ 380.125878 186.7
[M+H-H2O]+ 324.159980 171.9
[M+HCOO]- 386.160921 201.5
[M+CH3COO]- 400.176571 214.7
[M+Na-2H]- 362.137386 185.0
[M]+ 341.16217142 188.1
[M]- 341.16326858 188.1
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