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

6
Patents

300.06656 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.073836 168.2
[M+Na]+ 323.055778 178.6
[M-H]- 299.059284 175.6
[M+NH4]+ 318.100383 184.0
[M+K]+ 339.029718 173.8
[M+H-H2O]+ 283.063820 161.0
[M+HCOO]- 345.064761 186.0
[M+CH3COO]- 359.080411 180.6
[M+Na-2H]- 321.041226 171.5
[M]+ 300.06601142 172.9
[M]- 300.06710858 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