CID 219294

5394-71-8

Structural Information

Molecular Formula
C25H20O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C25H20O4/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)29-18-8-2-1-3-9-18/h1-5,8-11,13-16,26H,6-7,12H2
InChIKey
JVLITVTWAJLEKW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[3-(4-phenoxyphenyl)propyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.13617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14345 192.6
[M+Na]+ 407.12539 200.0
[M-H]- 383.12889 201.7
[M+NH4]+ 402.16999 203.9
[M+K]+ 423.09933 193.6
[M+H-H2O]+ 367.13343 182.2
[M+HCOO]- 429.13437 212.0
[M+CH3COO]- 443.15002 202.3
[M+Na-2H]- 405.11084 195.1
[M]+ 384.13562 194.0
[M]- 384.13672 194.0
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.