CID 360704

Nsc623040

Structural Information

Molecular Formula
C16H11ClN2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H11ClN2O3/c17-10-4-3-5-11(8-10)18-16(21)13(20)9-15-19-12-6-1-2-7-14(12)22-15/h1-8H,9H2,(H,18,21)
InChIKey
GLILGTPOPWELJG-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05308 169.4
[M+Na]+ 337.03502 179.0
[M-H]- 313.03852 177.0
[M+NH4]+ 332.07962 184.4
[M+K]+ 353.00896 174.7
[M+H-H2O]+ 297.04306 161.8
[M+HCOO]- 359.04400 188.2
[M+CH3COO]- 373.05965 181.7
[M+Na-2H]- 335.02047 174.6
[M]+ 314.04525 175.2
[M]- 314.04635 175.2
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.