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
3
Annotation Hits

10
References

131
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 177.8
[M+Na]+ 374.09992 188.6
[M-H]- 350.10342 185.6
[M+NH4]+ 369.14452 192.8
[M+K]+ 390.07386 186.4
[M+H-H2O]+ 334.10796 169.5
[M+HCOO]- 396.10890 192.9
[M+CH3COO]- 410.12455 189.5
[M+Na-2H]- 372.08537 183.7
[M]+ 351.11015 184.4
[M]- 351.11125 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.