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]+ 371.17540 191.0
[M+Na]+ 393.15734 198.6
[M-H]- 369.16084 201.2
[M+NH4]+ 388.20194 202.6
[M+K]+ 409.13128 193.1
[M+H-H2O]+ 353.16538 180.8
[M+HCOO]- 415.16632 213.4
[M+CH3COO]- 429.18197 201.5
[M+Na-2H]- 391.14279 194.8
[M]+ 370.16757 194.6
[M]- 370.16867 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.