CID 502611

2-hydroxy-3-[2-(4-phenylphenyl)ethyl]naphthalene-1,4-dione

Structural Information

Molecular Formula
C24H18O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C24H18O3/c25-22-19-8-4-5-9-20(19)23(26)24(27)21(22)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-11,13-14,25H,12,15H2
InChIKey
HIFWZPLDLZRPAZ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[2-(4-phenylphenyl)ethyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.12558 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13286 184.9
[M+Na]+ 377.11480 193.0
[M-H]- 353.11830 194.3
[M+NH4]+ 372.15940 197.6
[M+K]+ 393.08874 186.0
[M+H-H2O]+ 337.12284 175.0
[M+HCOO]- 399.12378 204.6
[M+CH3COO]- 413.13943 195.3
[M+Na-2H]- 375.10025 187.9
[M]+ 354.12503 184.7
[M]- 354.12613 184.7
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.