CID 498008

N-(2-phenyl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O2/c23-19(14-7-3-1-4-8-14)21-16-11-12-18-17(13-16)22-20(24-18)15-9-5-2-6-10-15/h2,5-6,9-14H,1,3-4,7-8H2,(H,21,23)
InChIKey
YLWKHQQOOUABQB-UHFFFAOYSA-N
Compound name
N-(2-phenyl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.15247 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 173.9
[M+Na]+ 343.14169 179.4
[M-H]- 319.14519 183.3
[M+NH4]+ 338.18629 187.2
[M+K]+ 359.11563 175.2
[M+H-H2O]+ 303.14973 164.4
[M+HCOO]- 365.15067 193.6
[M+CH3COO]- 379.16632 184.4
[M+Na-2H]- 341.12714 177.8
[M]+ 320.15192 171.7
[M]- 320.15302 171.7
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.