CID 4160237

(1,9 or 2,9 or 3,9 or 4,9)-diisopropyl-9-hydroxy-10(9h)-anthrone

Structural Information

Molecular Formula
C20H22O2
SMILES
CC(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2(C(C)C)O
InChI
InChI=1S/C20H22O2/c1-12(2)14-9-10-16-18(11-14)20(22,13(3)4)17-8-6-5-7-15(17)19(16)21/h5-13,22H,1-4H3
InChIKey
XWXHENNAXBEYHR-UHFFFAOYSA-N
Compound name
10-hydroxy-3,10-di(propan-2-yl)anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.162 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16928 170.1
[M+Na]+ 317.15122 184.4
[M+NH4]+ 312.19582 180.6
[M+K]+ 333.12516 174.7
[M-H]- 293.15472 173.5
[M+Na-2H]- 315.13667 176.5
[M]+ 294.16145 173.4
[M]- 294.16255 173.4
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.