CID 102387796

2-(4-methyl-1,3-pentadienyl)anthraquinone

Structural Information

Molecular Formula
C20H16O2
SMILES
CC(=C/C=C\C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C20H16O2/c1-13(2)6-5-7-14-10-11-17-18(12-14)20(22)16-9-4-3-8-15(16)19(17)21/h3-12H,1-2H3/b7-5-
InChIKey
BIHNBOKNHXYFQJ-ALCCZGGFSA-N
Compound name
2-[(1Z)-4-methylpenta-1,3-dienyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11502 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 166.9
[M+Na]+ 311.10424 182.1
[M+NH4]+ 306.14884 175.6
[M+K]+ 327.07818 172.8
[M-H]- 287.10774 170.3
[M+Na-2H]- 309.08969 172.5
[M]+ 288.11447 170.1
[M]- 288.11557 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.