CID 4343360

2,3-diphenoxynaphthoquinone

Structural Information

Molecular Formula
C22H14O4
SMILES
C1=CC=C(C=C1)OC2=C(C(=O)C3=CC=CC=C3C2=O)OC4=CC=CC=C4
InChI
InChI=1S/C22H14O4/c23-19-17-13-7-8-14-18(17)20(24)22(26-16-11-5-2-6-12-16)21(19)25-15-9-3-1-4-10-15/h1-14H
InChIKey
HOLXCWXMWHRROR-UHFFFAOYSA-N
Compound name
2,3-diphenoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

342.0892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09648 179.3
[M+Na]+ 365.07842 197.3
[M+NH4]+ 360.12302 188.3
[M+K]+ 381.05236 187.5
[M-H]- 341.08192 186.9
[M+Na-2H]- 363.06387 190.7
[M]+ 342.08865 184.3
[M]- 342.08975 184.3
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

patents stripe