CID 54719893

3bz8ph-4ohbzpyran2one

Structural Information

Molecular Formula
C22H16O3
SMILES
C1=CC=C(C=C1)CC2=C(C3=C(C(=CC=C3)C4=CC=CC=C4)OC2=O)O
InChI
InChI=1S/C22H16O3/c23-20-18-13-7-12-17(16-10-5-2-6-11-16)21(18)25-22(24)19(20)14-15-8-3-1-4-9-15/h1-13,23H,14H2
InChIKey
GFSBXWDUGNYUIJ-UHFFFAOYSA-N
Compound name
3-benzyl-4-hydroxy-8-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.10995 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11723 177.0
[M+Na]+ 351.09917 186.2
[M-H]- 327.10267 187.5
[M+NH4]+ 346.14377 189.5
[M+K]+ 367.07311 181.0
[M+H-H2O]+ 311.10721 167.4
[M+HCOO]- 373.10815 197.7
[M+CH3COO]- 387.12380 188.5
[M+Na-2H]- 349.08462 183.3
[M]+ 328.10940 178.5
[M]- 328.11050 178.5
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.