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]+ 295.169276 169.8
[M+Na]+ 317.151218 178.0
[M-H]- 293.154724 174.0
[M+NH4]+ 312.195823 189.0
[M+K]+ 333.125158 173.3
[M+H-H2O]+ 277.159260 163.4
[M+HCOO]- 339.160201 185.7
[M+CH3COO]- 353.175851 206.6
[M+Na-2H]- 315.136666 172.9
[M]+ 294.16145142 170.5
[M]- 294.16254858 170.5
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.