CID 3075059

171204-21-0

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C)CCNC(=O)C1=CC(=O)NC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O2/c1-10(2)7-8-16-15(19)12-9-14(18)17-13-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
IVDXUUYOJJPGCM-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.3
[M+Na]+ 281.126058 166.1
[M-H]- 257.129564 161.0
[M+NH4]+ 276.170663 175.0
[M+K]+ 297.099998 161.8
[M+H-H2O]+ 241.134100 152.0
[M+HCOO]- 303.135041 178.8
[M+CH3COO]- 317.150691 197.8
[M+Na-2H]- 279.111506 163.8
[M]+ 258.13629142 159.0
[M]- 258.13738858 159.0
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.