CID 216896

37852-61-2

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CC(C(=O)NC1=CC(=NO1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C12H11ClN2O2/c1-8(13)12(16)14-11-7-10(15-17-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,16)
InChIKey
UNSJTDNXEIROJA-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.058176 154.9
[M+Na]+ 273.040118 162.8
[M-H]- 249.043624 161.1
[M+NH4]+ 268.084723 171.4
[M+K]+ 289.014058 159.9
[M+H-H2O]+ 233.048160 147.7
[M+HCOO]- 295.049101 173.5
[M+CH3COO]- 309.064751 192.6
[M+Na-2H]- 271.025566 158.9
[M]+ 250.05035142 157.7
[M]- 250.05144858 157.7
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

No patent data available for this compound.