CID 170514

41450-96-8

Structural Information

Molecular Formula
C22H24O4
SMILES
CCCCC(CC)CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C22H24O4/c1-3-5-8-13(4-2)11-14-12-17(23)18-19(20(14)24)22(26)16-10-7-6-9-15(16)21(18)25/h6-7,9-10,12-13,23-24H,3-5,8,11H2,1-2H3
InChIKey
HLWZIPJMZTXXSF-UHFFFAOYSA-N
Compound name
2-(2-ethylhexyl)-1,4-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

352.16745 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 184.0
[M+Na]+ 375.15667 191.7
[M-H]- 351.16017 186.7
[M+NH4]+ 370.20127 198.3
[M+K]+ 391.13061 186.1
[M+H-H2O]+ 335.16471 176.9
[M+HCOO]- 397.16565 199.1
[M+CH3COO]- 411.18130 216.0
[M+Na-2H]- 373.14212 184.5
[M]+ 352.16690 186.8
[M]- 352.16800 186.8
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

patents stripe