CID 74800

1983-34-2

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CN1C(=O)CC(=O)N(C1=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H9ClN2O3/c1-13-9(15)6-10(16)14(11(13)17)8-4-2-3-7(12)5-8/h2-5H,6H2,1H3
InChIKey
PWXIOTZPLWVFNU-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

252.03017 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 150.8
[M+Na]+ 275.01939 161.7
[M-H]- 251.02289 155.4
[M+NH4]+ 270.06399 166.5
[M+K]+ 290.99333 157.1
[M+H-H2O]+ 235.02743 143.5
[M+HCOO]- 297.02837 165.7
[M+CH3COO]- 311.04402 192.8
[M+Na-2H]- 273.00484 153.6
[M]+ 252.02962 151.8
[M]- 252.03072 151.8
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