CID 502606

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

Structural Information

Molecular Formula
C24H18O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CCC3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C24H18O4/c25-22-19-8-4-5-9-20(19)23(26)24(27)21(22)15-12-16-10-13-18(14-11-16)28-17-6-2-1-3-7-17/h1-11,13-14,25H,12,15H2
InChIKey
RUEXSUPRLYYHCS-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[2-(4-phenoxyphenyl)ethyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1205 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12778 188.1
[M+Na]+ 393.10972 195.9
[M-H]- 369.11322 197.4
[M+NH4]+ 388.15432 200.0
[M+K]+ 409.08366 189.7
[M+H-H2O]+ 353.11776 177.9
[M+HCOO]- 415.11870 207.8
[M+CH3COO]- 429.13435 198.2
[M+Na-2H]- 391.09517 191.1
[M]+ 370.11995 189.2
[M]- 370.12105 189.2
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

No patent data available for this compound.