CID 54691100

Schembl6173274

Structural Information

Molecular Formula
C23H26O3
SMILES
CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C23H26O3/c1-3-15-23(18-13-9-6-10-14-18)16-20(24)21(22(25)26-23)19(4-2)17-11-7-5-8-12-17/h5-14,19,24H,3-4,15-16H2,1-2H3
InChIKey
NSAKKGFBUXXJHG-UHFFFAOYSA-N
Compound name
4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

350.1882 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19548 186.9
[M+Na]+ 373.17742 192.1
[M-H]- 349.18092 195.3
[M+NH4]+ 368.22202 199.4
[M+K]+ 389.15136 188.3
[M+H-H2O]+ 333.18546 177.9
[M+HCOO]- 395.18640 204.0
[M+CH3COO]- 409.20205 212.4
[M+Na-2H]- 371.16287 188.5
[M]+ 350.18765 186.7
[M]- 350.18875 186.7
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.