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]+ 265.037456 154.8
[M+Na]+ 287.019398 166.0
[M-H]- 263.022904 159.6
[M+NH4]+ 282.064003 170.6
[M+K]+ 302.993338 161.0
[M+H-H2O]+ 247.027440 147.7
[M+HCOO]- 309.028381 168.6
[M+CH3COO]- 323.044031 167.2
[M+Na-2H]- 285.004846 158.8
[M]+ 264.02963142 156.1
[M]- 264.03072858 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.