CID 1128797

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

Structural Information

Molecular Formula
C22H17FN2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H17FN2O2/c1-2-14-3-5-16(6-4-14)22-25-19-13-18(11-12-20(19)27-22)24-21(26)15-7-9-17(23)10-8-15/h3-13H,2H2,1H3,(H,24,26)
InChIKey
PWEFGDHDHUOYQD-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

360.1274 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13468 185.6
[M+Na]+ 383.11662 195.1
[M-H]- 359.12012 195.3
[M+NH4]+ 378.16122 197.9
[M+K]+ 399.09056 189.6
[M+H-H2O]+ 343.12466 175.0
[M+HCOO]- 405.12560 207.6
[M+CH3COO]- 419.14125 196.8
[M+Na-2H]- 381.10207 189.1
[M]+ 360.12685 188.2
[M]- 360.12795 188.2
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.