CID 54686718

U-96988

Structural Information

Molecular Formula
C24H26O3
SMILES
CCC(CC1=CC=CC=C1)C2=CC(=C(C(=O)O2)C(CC)C3=CC=CC=C3)O
InChI
InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3
InChIKey
HALPINAQGOXQAN-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

34
Patents

362.1882 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19548 189.6
[M+Na]+ 385.17742 205.4
[M+NH4]+ 380.22202 197.1
[M+K]+ 401.15136 197.0
[M-H]- 361.18092 197.2
[M+Na-2H]- 383.16287 198.9
[M]+ 362.18765 194.2
[M]- 362.18875 194.2
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

patents stripe