CID 70882

Moxaverine

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCC1=NC(=C2C=C(C(=CC2=C1)OC)OC)CC3=CC=CC=C3
InChI
InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3
InChIKey
MYCMTMIGRXJNSO-UHFFFAOYSA-N
Compound name
1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

23
References

1093
Patents

307.15723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 174.4
[M+Na]+ 330.14645 183.2
[M-H]- 306.14995 180.8
[M+NH4]+ 325.19105 189.2
[M+K]+ 346.12039 178.3
[M+H-H2O]+ 290.15449 164.9
[M+HCOO]- 352.15543 195.4
[M+CH3COO]- 366.17108 208.9
[M+Na-2H]- 328.13190 179.3
[M]+ 307.15668 178.9
[M]- 307.15778 178.9
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