CID 171119027

3-n-pentadecyl-4'-methoxyluteolin

Structural Information

Molecular Formula
C30H40O6
SMILES
CCCCCCCCCCCCCCCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C30H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-29(35)28-26(34)19-22(31)20-27(28)36-30(23)21-16-17-24(32)25(33)18-21/h16-20,31-34H,2-15H2,1H3
InChIKey
RQEWYYLVBUSNBH-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-pentadecylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.2825 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.28978 227.6
[M+Na]+ 519.27172 232.2
[M-H]- 495.27522 229.7
[M+NH4]+ 514.31632 232.1
[M+K]+ 535.24566 226.2
[M+H-H2O]+ 479.27976 217.7
[M+HCOO]- 541.28070 240.0
[M+CH3COO]- 555.29635 238.8
[M+Na-2H]- 517.25717 224.5
[M]+ 496.28195 234.7
[M]- 496.28305 234.7
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.