CID 5469928

N,o-didemethylbuchenavianine

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1CCNC(C1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)O
InChI
InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2
InChIKey
QNBKXTFSOOMMAF-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-phenyl-8-piperidin-2-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.8
[M+Na]+ 360.12062 185.6
[M-H]- 336.12412 184.7
[M+NH4]+ 355.16522 188.2
[M+K]+ 376.09456 180.1
[M+H-H2O]+ 320.12866 169.2
[M+HCOO]- 382.12960 191.8
[M+CH3COO]- 396.14525 187.7
[M+Na-2H]- 358.10607 181.9
[M]+ 337.13085 174.4
[M]- 337.13195 174.4
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

No patent data available for this compound.