CID 5309153

N,n-dicyclohexyl-5-propyl-3-isoxazolecarboxamide

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCC1=CC(=NO1)C(=O)N(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
InChIKey
XTUSMJNHGPASSE-UHFFFAOYSA-N
Compound name
N,N-dicyclohexyl-5-propyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

318.23074 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 180.1
[M+Na]+ 341.219958 179.7
[M-H]- 317.223464 187.9
[M+NH4]+ 336.264563 192.6
[M+K]+ 357.193898 178.5
[M+H-H2O]+ 301.228000 170.3
[M+HCOO]- 363.228941 195.1
[M+CH3COO]- 377.244591 210.4
[M+Na-2H]- 339.205406 177.7
[M]+ 318.23019142 173.9
[M]- 318.23128858 173.9
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.