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]+ 259.14412 159.3
[M+Na]+ 281.12606 166.1
[M-H]- 257.12956 161.0
[M+NH4]+ 276.17066 175.0
[M+K]+ 297.10000 161.8
[M+H-H2O]+ 241.13410 152.0
[M+HCOO]- 303.13504 178.8
[M+CH3COO]- 317.15069 197.8
[M+Na-2H]- 279.11151 163.8
[M]+ 258.13629 159.0
[M]- 258.13739 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.