CID 54690688

5427-45-2

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CCC(CC1)CCCC2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C18H23NO2/c20-17-14-10-4-5-12-16(14)19-18(21)15(17)11-6-9-13-7-2-1-3-8-13/h4-5,10,12-13H,1-3,6-9,11H2,(H2,19,20,21)
InChIKey
MYEOTJDGYRQIFA-UHFFFAOYSA-N
Compound name
3-(3-cyclohexylpropyl)-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 167.9
[M+Na]+ 308.16210 173.0
[M-H]- 284.16560 170.3
[M+NH4]+ 303.20670 181.7
[M+K]+ 324.13604 166.7
[M+H-H2O]+ 268.17014 159.4
[M+HCOO]- 330.17108 182.5
[M+CH3COO]- 344.18673 177.0
[M+Na-2H]- 306.14755 170.8
[M]+ 285.17233 162.8
[M]- 285.17343 162.8
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.