CID 3013312

4-ethyl-n-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)CC
InChI
InChI=1S/C24H22N2O2/c1-3-16-5-9-18(10-6-16)23(27)25-20-13-14-22-21(15-20)26-24(28-22)19-11-7-17(4-2)8-12-19/h5-15H,3-4H2,1-2H3,(H,25,27)
InChIKey
RRVZFOQFTYSOMY-UHFFFAOYSA-N
Compound name
4-ethyl-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.16812 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 191.7
[M+Na]+ 393.157338 200.2
[M-H]- 369.160844 202.4
[M+NH4]+ 388.201943 203.6
[M+K]+ 409.131278 194.8
[M+H-H2O]+ 353.165380 181.7
[M+HCOO]- 415.166321 214.1
[M+CH3COO]- 429.181971 202.6
[M+Na-2H]- 391.142786 194.8
[M]+ 370.16757142 195.8
[M]- 370.16866858 195.8
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.