CID 393062

Buchenavianine

Structural Information

Molecular Formula
C22H23NO4
SMILES
CN1CCCCC1C2=C3C(=C(C=C2O)OC)C(=O)C=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C22H23NO4/c1-23-11-7-6-10-15(23)20-16(24)13-19(26-2)21-17(25)12-18(27-22(20)21)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,24H,6-7,10-11H2,1-2H3
InChIKey
XLJBNMLKEZOFPM-UHFFFAOYSA-N
Compound name
7-hydroxy-5-methoxy-8-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 188.3
[M+Na]+ 388.15194 195.9
[M-H]- 364.15544 196.9
[M+NH4]+ 383.19654 198.2
[M+K]+ 404.12588 191.8
[M+H-H2O]+ 348.15998 177.7
[M+HCOO]- 410.16092 203.5
[M+CH3COO]- 424.17657 197.9
[M+Na-2H]- 386.13739 190.3
[M]+ 365.16217 188.4
[M]- 365.16327 188.4
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.