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 168.2
[M+Na]+ 323.05578 178.6
[M-H]- 299.05928 175.6
[M+NH4]+ 318.10038 184.0
[M+K]+ 339.02972 173.8
[M+H-H2O]+ 283.06382 161.0
[M+HCOO]- 345.06476 186.0
[M+CH3COO]- 359.08041 180.6
[M+Na-2H]- 321.04123 171.5
[M]+ 300.06601 172.9
[M]- 300.06711 172.9
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