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]+ 231.07642 147.2
[M+Na]+ 253.05836 156.1
[M-H]- 229.06186 150.8
[M+NH4]+ 248.10296 164.8
[M+K]+ 269.03230 153.1
[M+H-H2O]+ 213.06640 140.1
[M+HCOO]- 275.06734 169.1
[M+CH3COO]- 289.08299 193.1
[M+Na-2H]- 251.04381 153.3
[M]+ 230.06859 148.0
[M]- 230.06969 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.