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]+ 317.18596 175.9
[M+Na]+ 339.16790 181.9
[M-H]- 315.17140 175.9
[M+NH4]+ 334.21250 188.7
[M+K]+ 355.14184 176.3
[M+H-H2O]+ 299.17594 168.0
[M+HCOO]- 361.17688 193.9
[M+CH3COO]- 375.19253 207.0
[M+Na-2H]- 337.15335 178.8
[M]+ 316.17813 177.2
[M]- 316.17923 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.