CID 365993

Nsc634159

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
C1CC(=O)NC(=O)C1C2=NC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C12H9ClN2O3/c13-6-1-3-9-8(5-6)14-12(18-9)7-2-4-10(16)15-11(7)17/h1,3,5,7H,2,4H2,(H,15,16,17)
InChIKey
NKWDFVZWXCYEHO-UHFFFAOYSA-N
Compound name
3-(5-chloro-1,3-benzoxazol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03746 154.8
[M+Na]+ 287.01940 166.0
[M-H]- 263.02290 159.6
[M+NH4]+ 282.06400 170.6
[M+K]+ 302.99334 161.0
[M+H-H2O]+ 247.02744 147.7
[M+HCOO]- 309.02838 168.6
[M+CH3COO]- 323.04403 167.2
[M+Na-2H]- 285.00485 158.8
[M]+ 264.02963 156.1
[M]- 264.03073 156.1
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.