CID 54687937

4-benzhydryl-3-hydroxy-2-(3-phenylpropyl)-2h-furan-5-one

Structural Information

Molecular Formula
C26H24O3
SMILES
C1=CC=C(C=C1)CCCC2C(=C(C(=O)O2)C(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C26H24O3/c27-25-22(18-10-13-19-11-4-1-5-12-19)29-26(28)24(25)23(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22-23,27H,10,13,18H2
InChIKey
UHUDOMYZRVNEKC-UHFFFAOYSA-N
Compound name
4-benzhydryl-3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.17255 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17983 194.8
[M+Na]+ 407.16177 199.7
[M-H]- 383.16527 206.4
[M+NH4]+ 402.20637 205.1
[M+K]+ 423.13571 194.4
[M+H-H2O]+ 367.16981 185.2
[M+HCOO]- 429.17075 214.2
[M+CH3COO]- 443.18640 204.2
[M+Na-2H]- 405.14722 194.1
[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.