CID 2896587

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

Structural Information

Molecular Formula
C18H11FN2O2S
SMILES
C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H11FN2O2S/c19-12-5-3-11(4-6-12)18-21-14-10-13(7-8-15(14)23-18)20-17(22)16-2-1-9-24-16/h1-10H,(H,20,22)
InChIKey
CPYLNJVVSYXZIG-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.05252 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05980 174.6
[M+Na]+ 361.04174 186.0
[M-H]- 337.04524 185.4
[M+NH4]+ 356.08634 190.7
[M+K]+ 377.01568 181.3
[M+H-H2O]+ 321.04978 167.1
[M+HCOO]- 383.05072 194.7
[M+CH3COO]- 397.06637 187.4
[M+Na-2H]- 359.02719 176.1
[M]+ 338.05197 179.4
[M]- 338.05307 179.4
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.