CID 54687074

2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-n-undecylacetamide

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCCCCCCCCCCNC(=O)CC1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C22H32N2O3/c1-2-3-4-5-6-7-8-9-12-15-23-20(25)16-18-21(26)17-13-10-11-14-19(17)24-22(18)27/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,23,25)(H2,24,26,27)
InChIKey
SOWQHJAJLZKQSE-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-undecylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 193.7
[M+Na]+ 395.23052 197.8
[M-H]- 371.23402 192.8
[M+NH4]+ 390.27512 204.1
[M+K]+ 411.20446 191.3
[M+H-H2O]+ 355.23856 184.9
[M+HCOO]- 417.23950 210.2
[M+CH3COO]- 431.25515 218.9
[M+Na-2H]- 393.21597 194.5
[M]+ 372.24075 196.3
[M]- 372.24185 196.3
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.