CID 498007

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C20H19FN2O2
SMILES
C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H19FN2O2/c21-15-8-6-14(7-9-15)20-23-17-12-16(10-11-18(17)25-20)22-19(24)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,22,24)
InChIKey
RTCRWFLMYAFGTB-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.14307 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15035 177.9
[M+Na]+ 361.13229 184.4
[M-H]- 337.13579 186.3
[M+NH4]+ 356.17689 190.6
[M+K]+ 377.10623 179.7
[M+H-H2O]+ 321.14033 167.5
[M+HCOO]- 383.14127 196.5
[M+CH3COO]- 397.15692 188.1
[M+Na-2H]- 359.11774 180.4
[M]+ 338.14252 175.1
[M]- 338.14362 175.1
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.