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]+ 341.11723 179.9
[M+Na]+ 363.09917 187.2
[M-H]- 339.10267 189.2
[M+NH4]+ 358.14377 192.8
[M+K]+ 379.07311 180.9
[M+H-H2O]+ 323.10721 170.3
[M+HCOO]- 385.10815 198.9
[M+CH3COO]- 399.12380 190.3
[M+Na-2H]- 361.08462 183.1
[M]+ 340.10940 178.4
[M]- 340.11050 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.