CID 10331844

Napabucasin

Structural Information

Molecular Formula
C14H8O4
SMILES
CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
InChIKey
DPHUWDIXHNQOSY-UHFFFAOYSA-N
Compound name
2-acetylbenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

97
References

1511
Patents

240.04225 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04953 147.1
[M+Na]+ 263.03147 158.1
[M-H]- 239.03497 154.3
[M+NH4]+ 258.07607 167.7
[M+K]+ 279.00541 155.8
[M+H-H2O]+ 223.03951 142.1
[M+HCOO]- 285.04045 168.5
[M+CH3COO]- 299.05610 193.3
[M+Na-2H]- 261.01692 152.5
[M]+ 240.04170 150.9
[M]- 240.04280 150.9
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