CID 363475

Nsc628386

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CCC(=O)NC1=CC(=O)C(=O)C2=C1N=CC=C2
InChI
InChI=1S/C12H10N2O3/c1-2-10(16)14-8-6-9(15)12(17)7-4-3-5-13-11(7)8/h3-6H,2H2,1H3,(H,14,16)
InChIKey
ABEMMABOSSEGIP-UHFFFAOYSA-N
Compound name
N-(5,6-dioxoquinolin-8-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 147.2
[M+Na]+ 253.058358 156.1
[M-H]- 229.061864 150.8
[M+NH4]+ 248.102963 164.8
[M+K]+ 269.032298 153.1
[M+H-H2O]+ 213.066400 140.1
[M+HCOO]- 275.067341 169.1
[M+CH3COO]- 289.082991 193.1
[M+Na-2H]- 251.043806 153.3
[M]+ 230.06859142 148.0
[M]- 230.06968858 148.0
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.