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]+ 371.17540 191.7
[M+Na]+ 393.15734 200.2
[M-H]- 369.16084 202.4
[M+NH4]+ 388.20194 203.6
[M+K]+ 409.13128 194.8
[M+H-H2O]+ 353.16538 181.7
[M+HCOO]- 415.16632 214.1
[M+CH3COO]- 429.18197 202.6
[M+Na-2H]- 391.14279 194.8
[M]+ 370.16757 195.8
[M]- 370.16867 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.