CID 3013287

785836-58-0

Structural Information

Molecular Formula
C23H20N2O2
SMILES
CCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C23H20N2O2/c1-2-16-8-10-18(11-9-16)23(26)24-19-12-13-21-20(15-19)25-22(27-21)14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,26)
InChIKey
BMLUAUXHKJQXIK-UHFFFAOYSA-N
Compound name
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-ethylbenzamide
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 186.4
[M+Na]+ 379.14169 194.5
[M-H]- 355.14519 196.8
[M+NH4]+ 374.18629 198.6
[M+K]+ 395.11563 189.2
[M+H-H2O]+ 339.14973 176.4
[M+HCOO]- 401.15067 209.2
[M+CH3COO]- 415.16632 197.4
[M+Na-2H]- 377.12714 190.7
[M]+ 356.15192 189.8
[M]- 356.15302 189.8
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.