CID 54677806

378199-95-2

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CCNCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C14H17N3O3/c1-2-15-7-8-16-13(19)11-12(18)9-5-3-4-6-10(9)17-14(11)20/h3-6,15H,2,7-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKey
NDPWLIDXHIDCEX-UHFFFAOYSA-N
Compound name
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 160.9
[M+Na]+ 298.11620 167.8
[M-H]- 274.11970 161.6
[M+NH4]+ 293.16080 175.0
[M+K]+ 314.09014 163.2
[M+H-H2O]+ 258.12424 153.4
[M+HCOO]- 320.12518 181.4
[M+CH3COO]- 334.14083 200.3
[M+Na-2H]- 296.10165 166.5
[M]+ 275.12643 160.1
[M]- 275.12753 160.1
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

No patent data available for this compound.