CID 54714068

5,6-dihydro-4-hydroxy-6,6-diphenyl-3-(3-phenylpropyl)-2h-pyran-2-one

Structural Information

Molecular Formula
C26H24O3
SMILES
C1C(=C(C(=O)OC1(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=CC=CC=C4)O
InChI
InChI=1S/C26H24O3/c27-24-19-26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)29-25(28)23(24)18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,27H,10,13,18-19H2
InChIKey
KCZPGCKRXMFLNX-UHFFFAOYSA-N
Compound name
4-hydroxy-2,2-diphenyl-5-(3-phenylpropyl)-3H-pyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

384.17255 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17983 196.3
[M+Na]+ 407.16177 201.7
[M-H]- 383.16527 207.5
[M+NH4]+ 402.20637 206.6
[M+K]+ 423.13571 196.4
[M+H-H2O]+ 367.16981 185.1
[M+HCOO]- 429.17075 214.4
[M+CH3COO]- 443.18640 205.3
[M+Na-2H]- 405.14722 199.3
[M]+ 384.17200 194.7
[M]- 384.17310 194.7
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.