CID 54676836

Cambridge id 5811567

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC(C)C)O
InChI
InChI=1S/C16H20N2O3/c1-4-18-12-8-6-5-7-11(12)14(19)13(16(18)21)15(20)17-9-10(2)3/h5-8,10,19H,4,9H2,1-3H3,(H,17,20)
InChIKey
JFGMNKCERCGUHG-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.1474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 166.7
[M+Na]+ 311.136618 174.7
[M-H]- 287.140124 169.0
[M+NH4]+ 306.181223 181.7
[M+K]+ 327.110558 171.0
[M+H-H2O]+ 271.144660 159.4
[M+HCOO]- 333.145601 185.9
[M+CH3COO]- 347.161251 205.5
[M+Na-2H]- 309.122066 169.2
[M]+ 288.14685142 169.0
[M]- 288.14794858 169.0
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.