CID 10959623

Chembl512359

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CCC4=CC=CC=C4
InChI
InChI=1S/C24H22N2O2/c1-2-17-8-11-19(12-9-17)24-26-21-16-20(13-14-22(21)28-24)25-23(27)15-10-18-6-4-3-5-7-18/h3-9,11-14,16H,2,10,15H2,1H3,(H,25,27)
InChIKey
YYLOJJJBONDHEZ-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.16812 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 191.0
[M+Na]+ 393.157338 198.6
[M-H]- 369.160844 201.2
[M+NH4]+ 388.201943 202.6
[M+K]+ 409.131278 193.1
[M+H-H2O]+ 353.165380 180.8
[M+HCOO]- 415.166321 213.4
[M+CH3COO]- 429.181971 201.5
[M+Na-2H]- 391.142786 194.8
[M]+ 370.16757142 194.6
[M]- 370.16866858 194.6
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.