CID 3039776

Brn 1015479

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H13ClN2O2/c1-9(15(18)20)11-4-7-14-13(8-11)19-16(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H2,18,20)
InChIKey
SKYNXWZWUYJKGC-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

300.06656 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 166.4
[M+Na]+ 323.05578 181.8
[M+NH4]+ 318.10038 174.7
[M+K]+ 339.02972 176.5
[M-H]- 299.05928 172.0
[M+Na-2H]- 321.04123 173.8
[M]+ 300.06601 170.5
[M]- 300.06711 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe