CID 167741472

3-(6-iodo-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C12H9IN2O4
SMILES
C1CC(=O)NC(=O)C1N2C3=C(C=C(C=C3)I)OC2=O
InChI
InChI=1S/C12H9IN2O4/c13-6-1-2-7-9(5-6)19-12(18)15(7)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4H2,(H,14,16,17)
InChIKey
SOPGRHYNZFSCMB-UHFFFAOYSA-N
Compound name
3-(6-iodo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.9607 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.96798 167.7
[M+Na]+ 394.94992 173.2
[M+NH4]+ 389.99452 169.6
[M+K]+ 410.92386 173.0
[M-H]- 370.95342 163.9
[M+Na-2H]- 392.93537 159.0
[M]+ 371.96015 166.1
[M]- 371.96125 166.1
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.