CID 14186891

9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one

Structural Information

Molecular Formula
C21H26O4
SMILES
C1=CC=C(C=C1)CCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C21H26O4/c22-17-14-19(24)21(20(25)15-17)18(23)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15,22,24-25H,1-4,6,9-10,13H2
InChIKey
OOGZWXIAHJKVAH-UHFFFAOYSA-N
Compound name
9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.1831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.190376 184.0
[M+Na]+ 365.172318 188.5
[M-H]- 341.175824 185.9
[M+NH4]+ 360.216923 195.2
[M+K]+ 381.146258 182.9
[M+H-H2O]+ 325.180360 175.9
[M+HCOO]- 387.181301 201.3
[M+CH3COO]- 401.196951 207.4
[M+Na-2H]- 363.157766 183.5
[M]+ 342.18255142 185.4
[M]- 342.18364858 185.4
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.