CID 9784

Brn 0268308

Structural Information

Molecular Formula
C12H11ClN2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H11ClN2O3/c1-2-12(7-4-3-5-8(13)6-7)9(16)14-11(18)15-10(12)17/h3-6H,2H2,1H3,(H2,14,15,16,17,18)
InChIKey
IJNIZRWRXDRLDV-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05308 156.6
[M+Na]+ 289.03502 169.7
[M+NH4]+ 284.07962 164.1
[M+K]+ 305.00896 161.8
[M-H]- 265.03852 157.4
[M+Na-2H]- 287.02047 163.1
[M]+ 266.04525 158.8
[M]- 266.04635 158.8
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

No patent data available for this compound.