CID 3013323

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

Structural Information

Molecular Formula
C20H16N2O2S
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CS4
InChI
InChI=1S/C20H16N2O2S/c1-2-13-5-7-14(8-6-13)20-22-16-12-15(9-10-17(16)24-20)21-19(23)18-4-3-11-25-18/h3-12H,2H2,1H3,(H,21,23)
InChIKey
BHXXFHHQTDBSHS-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.09326 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10054 181.3
[M+Na]+ 371.08248 191.7
[M-H]- 347.08598 193.2
[M+NH4]+ 366.12708 197.1
[M+K]+ 387.05642 187.1
[M+H-H2O]+ 331.09052 174.4
[M+HCOO]- 393.09146 201.8
[M+CH3COO]- 407.10711 193.8
[M+Na-2H]- 369.06793 182.4
[M]+ 348.09271 187.6
[M]- 348.09381 187.6
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.