CID 317256

2-(4-methyl-3-pentenyl)anthraquinone

Structural Information

Molecular Formula
C20H18O2
SMILES
CC(=CCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C20H18O2/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/h3-4,6,8-12H,5,7H2,1-2H3
InChIKey
NQVBCGTZRWHVSY-UHFFFAOYSA-N
Compound name
2-(4-methylpent-3-enyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

59
Patents

290.13068 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 166.9
[M+Na]+ 313.11990 175.4
[M-H]- 289.12340 172.2
[M+NH4]+ 308.16450 184.9
[M+K]+ 329.09384 169.6
[M+H-H2O]+ 273.12794 159.7
[M+HCOO]- 335.12888 185.8
[M+CH3COO]- 349.14453 206.4
[M+Na-2H]- 311.10535 170.6
[M]+ 290.13013 168.2
[M]- 290.13123 168.2
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.