CID 166627812

Chembl5078487

Structural Information

Molecular Formula
C25H38O4
SMILES
CCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O
InChI
InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(27)24-23(28)18-21(26)19(2)25(24)29-20/h17-18,26,28H,3-16H2,1-2H3
InChIKey
YHAWQXOYNXPJPY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-methyl-2-pentadecylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.277 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28428 204.5
[M+Na]+ 425.26622 210.0
[M-H]- 401.26972 205.9
[M+NH4]+ 420.31082 214.8
[M+K]+ 441.24016 204.8
[M+H-H2O]+ 385.27426 196.3
[M+HCOO]- 447.27520 220.3
[M+CH3COO]- 461.29085 225.2
[M+Na-2H]- 423.25167 203.7
[M]+ 402.27645 212.7
[M]- 402.27755 212.7
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.