CID 10217

Dihydroberberine

Structural Information

Molecular Formula
C20H19NO4
SMILES
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC
InChI
InChI=1S/C20H19NO4/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/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKey
FZAGOOYMTPGPGF-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-heptaene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

31
References

342
Patents

337.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 175.5
[M+Na]+ 360.12062 184.5
[M-H]- 336.12412 182.5
[M+NH4]+ 355.16522 191.0
[M+K]+ 376.09456 182.1
[M+H-H2O]+ 320.12866 167.1
[M+HCOO]- 382.12960 188.9
[M+CH3COO]- 396.14525 186.5
[M+Na-2H]- 358.10607 181.0
[M]+ 337.13085 179.5
[M]- 337.13195 179.5
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