CID 11066

Oxyberberine

Structural Information

Molecular Formula
C20H17NO5
SMILES
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC
InChI
InChI=1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3
InChIKey
ZHYQCBCBTQWPLC-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

108
Patents

351.1107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 179.8
[M+Na]+ 374.09992 195.9
[M+NH4]+ 369.14452 188.8
[M+K]+ 390.07386 190.4
[M-H]- 350.10342 185.9
[M+Na-2H]- 372.08537 182.2
[M]+ 351.11015 184.1
[M]- 351.11125 184.1
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