CID 790692

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

Structural Information

Molecular Formula
C20H16N2O3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C20H16N2O3/c1-2-13-5-7-14(8-6-13)20-22-16-12-15(9-10-17(16)25-20)21-19(23)18-4-3-11-24-18/h3-12H,2H2,1H3,(H,21,23)
InChIKey
FECNYDOEOOGFRR-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1161 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.8
[M+Na]+ 355.10532 186.1
[M-H]- 331.10882 188.9
[M+NH4]+ 350.14992 190.7
[M+K]+ 371.07926 183.5
[M+H-H2O]+ 315.11336 169.1
[M+HCOO]- 377.11430 200.8
[M+CH3COO]- 391.12995 189.5
[M+Na-2H]- 353.09077 180.5
[M]+ 332.11555 182.3
[M]- 332.11665 182.3
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.