CID 54693782

2-(2,4-dihydroxyquinolin-3-yl)-n-heptylacetamide

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCCCCCCNC(=O)CC1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C18H24N2O3/c1-2-3-4-5-8-11-19-16(21)12-14-17(22)13-9-6-7-10-15(13)20-18(14)23/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,19,21)(H2,20,22,23)
InChIKey
ZYKNCPDOQKVWEU-UHFFFAOYSA-N
Compound name
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 175.9
[M+Na]+ 339.167898 181.9
[M-H]- 315.171404 175.9
[M+NH4]+ 334.212503 188.7
[M+K]+ 355.141838 176.3
[M+H-H2O]+ 299.175940 168.0
[M+HCOO]- 361.176881 193.9
[M+CH3COO]- 375.192531 207.0
[M+Na-2H]- 337.153346 178.8
[M]+ 316.17813142 177.2
[M]- 316.17922858 177.2
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.