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 165.6
[M+Na]+ 311.10424 174.5
[M-H]- 287.10774 170.9
[M+NH4]+ 306.14884 183.6
[M+K]+ 327.07818 168.0
[M+H-H2O]+ 271.11228 158.4
[M+HCOO]- 333.11322 184.7
[M+CH3COO]- 347.12887 205.0
[M+Na-2H]- 309.08969 169.3
[M]+ 288.11447 166.0
[M]- 288.11557 166.0
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.