CID 498010

2-cyclohexyl-n-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide

Structural Information

Molecular Formula
C21H21FN2O2
SMILES
C1CCC(CC1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O2/c22-16-8-6-15(7-9-16)21-24-18-13-17(10-11-19(18)26-21)23-20(25)12-14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2,(H,23,25)
InChIKey
APMMZNIZEUKPFB-UHFFFAOYSA-N
Compound name
2-cyclohexyl-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1587 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16598 182.5
[M+Na]+ 375.14792 188.5
[M-H]- 351.15142 190.7
[M+NH4]+ 370.19252 194.6
[M+K]+ 391.12186 183.6
[M+H-H2O]+ 335.15596 171.9
[M+HCOO]- 397.15690 200.7
[M+CH3COO]- 411.17255 192.2
[M+Na-2H]- 373.13337 184.4
[M]+ 352.15815 180.0
[M]- 352.15925 180.0
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.