CID 3013311

N-[2-(4-ethyl-phenyl)-benzooxazol-5-yl]-4-methyl-benzamide

Structural Information

Molecular Formula
C23H20N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H20N2O2/c1-3-16-6-10-18(11-7-16)23-25-20-14-19(12-13-21(20)27-23)24-22(26)17-8-4-15(2)5-9-17/h4-14H,3H2,1-2H3,(H,24,26)
InChIKey
XCAAASZJSMKYIQ-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.15247 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15975 187.1
[M+Na]+ 379.14169 196.1
[M-H]- 355.14519 198.0
[M+NH4]+ 374.18629 199.6
[M+K]+ 395.11563 190.9
[M+H-H2O]+ 339.14973 177.3
[M+HCOO]- 401.15067 209.8
[M+CH3COO]- 415.16632 198.4
[M+Na-2H]- 377.12714 190.7
[M]+ 356.15192 190.9
[M]- 356.15302 190.9
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.