CID 10063343

2-undecyl-4(1h)-quinolinone

Structural Information

Molecular Formula
C20H29NO
SMILES
CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)
InChIKey
KKSIGOUTTVXAKQ-UHFFFAOYSA-N
Compound name
2-undecyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

52
Patents

299.2249 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 175.9
[M+Na]+ 322.21412 181.6
[M-H]- 298.21762 176.3
[M+NH4]+ 317.25872 190.4
[M+K]+ 338.18806 175.0
[M+H-H2O]+ 282.22216 167.5
[M+HCOO]- 344.22310 194.1
[M+CH3COO]- 358.23875 205.4
[M+Na-2H]- 320.19957 179.4
[M]+ 299.22435 178.5
[M]- 299.22545 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe