CID 54684046

21742-64-3

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCCCCCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C17H22N2O3/c1-2-3-4-5-8-11-18-16(21)14-15(20)12-9-6-7-10-13(12)19-17(14)22/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,21)(H2,19,20,22)
InChIKey
YBXIUMABIGOYHR-UHFFFAOYSA-N
Compound name
N-heptyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 171.4
[M+Na]+ 325.152278 177.9
[M-H]- 301.155784 171.6
[M+NH4]+ 320.196883 184.8
[M+K]+ 341.126218 172.5
[M+H-H2O]+ 285.160320 163.7
[M+HCOO]- 347.161261 189.8
[M+CH3COO]- 361.176911 204.0
[M+Na-2H]- 323.137726 174.8
[M]+ 302.16251142 172.4
[M]- 302.16360858 172.4
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.