CID 26343

2-amylanthraquinone

Structural Information

Molecular Formula
C19H18O2
SMILES
CCCCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3
InChIKey
UMWZLYTVXQBTTE-UHFFFAOYSA-N
Compound name
2-pentylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8695
Patents

278.13068 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 163.6
[M+Na]+ 301.11990 172.5
[M-H]- 277.12340 169.0
[M+NH4]+ 296.16450 182.2
[M+K]+ 317.09384 166.9
[M+H-H2O]+ 261.12794 156.3
[M+HCOO]- 323.12888 183.7
[M+CH3COO]- 337.14453 204.0
[M+Na-2H]- 299.10535 168.9
[M]+ 278.13013 165.9
[M]- 278.13123 165.9
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

patents stripe