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]+ 303.17034 171.4
[M+Na]+ 325.15228 177.9
[M-H]- 301.15578 171.6
[M+NH4]+ 320.19688 184.8
[M+K]+ 341.12622 172.5
[M+H-H2O]+ 285.16032 163.7
[M+HCOO]- 347.16126 189.8
[M+CH3COO]- 361.17691 204.0
[M+Na-2H]- 323.13773 174.8
[M]+ 302.16251 172.4
[M]- 302.16361 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.