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]+ 289.122296 165.6
[M+Na]+ 311.104238 174.5
[M-H]- 287.107744 170.9
[M+NH4]+ 306.148843 183.6
[M+K]+ 327.078178 168.0
[M+H-H2O]+ 271.112280 158.4
[M+HCOO]- 333.113221 184.7
[M+CH3COO]- 347.128871 205.0
[M+Na-2H]- 309.089686 169.3
[M]+ 288.11447142 166.0
[M]- 288.11556858 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.