CID 231110

Q184 2-(diphenylmethyl)-3-hydroxy-1,4-naphthoquinone

Structural Information

Molecular Formula
C23H16O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)23(26)20(21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,24H
InChIKey
QRBYHTLNCCRJAC-UHFFFAOYSA-N
Compound name
3-benzhydryl-4-hydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.117226 179.9
[M+Na]+ 363.099168 187.2
[M-H]- 339.102674 189.2
[M+NH4]+ 358.143773 192.8
[M+K]+ 379.073108 180.9
[M+H-H2O]+ 323.107210 170.3
[M+HCOO]- 385.108151 198.9
[M+CH3COO]- 399.123801 190.3
[M+Na-2H]- 361.084616 183.1
[M]+ 340.10940142 178.4
[M]- 340.11049858 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.