CID 498014

3-cyclohexyl-n-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide

Structural Information

Molecular Formula
C24H28N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CCC4CCCCC4
InChI
InChI=1S/C24H28N2O2/c1-2-17-8-11-19(12-9-17)24-26-21-16-20(13-14-22(21)28-24)25-23(27)15-10-18-6-4-3-5-7-18/h8-9,11-14,16,18H,2-7,10,15H2,1H3,(H,25,27)
InChIKey
DJZYHVJWAUWTQM-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.2151 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 193.0
[M+Na]+ 399.20432 197.5
[M-H]- 375.20782 201.9
[M+NH4]+ 394.24892 204.1
[M+K]+ 415.17826 192.5
[M+H-H2O]+ 359.21236 182.7
[M+HCOO]- 421.21330 211.2
[M+CH3COO]- 435.22895 201.9
[M+Na-2H]- 397.18977 193.9
[M]+ 376.21455 192.4
[M]- 376.21565 192.4
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

No patent data available for this compound.