CID 231086

N-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide

Structural Information

Molecular Formula
C12H9NO3
SMILES
CC(=O)NC1=CC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H9NO3/c1-7(14)13-10-6-11(15)8-4-2-3-5-9(8)12(10)16/h2-6H,1H3,(H,13,14)
InChIKey
CHRDDMHFEJSYTL-UHFFFAOYSA-N
Compound name
N-(1,4-dioxonaphthalen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.1
[M+Na]+ 238.04746 156.8
[M+NH4]+ 233.09206 152.0
[M+K]+ 254.02140 150.8
[M-H]- 214.05096 146.4
[M+Na-2H]- 236.03291 149.8
[M]+ 215.05769 146.3
[M]- 215.05879 146.3
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