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 157.5
[M+Na]+ 394.94992 161.4
[M-H]- 370.95342 155.6
[M+NH4]+ 389.99452 167.8
[M+K]+ 410.92386 163.8
[M+H-H2O]+ 354.95796 146.6
[M+HCOO]- 416.95890 171.4
[M+CH3COO]- 430.97455 165.9
[M+Na-2H]- 392.93537 150.0
[M]+ 371.96015 155.5
[M]- 371.96125 155.5
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.