CID 3059885

77385-01-4

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC1=C(C=CC(=C1)Cl)N2CCC(=O)N(C2=O)C
InChI
InChI=1S/C12H13ClN2O2/c1-8-7-9(13)3-4-10(8)15-6-5-11(16)14(2)12(15)17/h3-4,7H,5-6H2,1-2H3
InChIKey
KQYBIEOQYRCHLW-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.06656 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 154.2
[M+Na]+ 275.05578 169.1
[M+NH4]+ 270.10038 161.9
[M+K]+ 291.02972 162.0
[M-H]- 251.05928 156.9
[M+Na-2H]- 273.04123 160.6
[M]+ 252.06601 157.3
[M]- 252.06711 157.3
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