CID 34458

Canadine

Structural Information

Molecular Formula
C20H21NO4
SMILES
COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
InChI
InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
InChIKey
VZTUIEROBZXUFA-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

138
References

976
Patents

339.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.3
[M+Na]+ 362.13628 193.7
[M+NH4]+ 357.18088 189.0
[M+K]+ 378.11022 188.0
[M-H]- 338.13978 185.6
[M+Na-2H]- 360.12173 180.7
[M]+ 339.14651 183.3
[M]- 339.14761 183.3
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