CID 389354

Nsc685358

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
C1=CC(=CC(=C1)Cl)CC2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H9ClN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-4,8H,5H2,(H2,13,14,15,16,17)
InChIKey
PUIFVWYXDKEJMP-UHFFFAOYSA-N
Compound name
5-[(3-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

252.03017 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 152.6
[M+Na]+ 275.01939 161.7
[M-H]- 251.02289 154.0
[M+NH4]+ 270.06399 166.5
[M+K]+ 290.99333 155.3
[M+H-H2O]+ 235.02743 145.6
[M+HCOO]- 297.02837 164.5
[M+CH3COO]- 311.04402 186.8
[M+Na-2H]- 273.00484 155.1
[M]+ 252.02962 149.5
[M]- 252.03072 149.5
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

patents stripe