CID 56315

Brn 0544891

Structural Information

Molecular Formula
C13H11ClN2O3
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O3/c1-2-7-13(8-3-5-9(14)6-4-8)10(17)15-12(19)16-11(13)18/h2-6H,1,7H2,(H2,15,16,17,18,19)
InChIKey
UPDSHKCWJMIUQV-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05308 160.1
[M+Na]+ 301.03502 173.1
[M+NH4]+ 296.07962 167.3
[M+K]+ 317.00896 164.9
[M-H]- 277.03852 160.7
[M+Na-2H]- 299.02047 166.3
[M]+ 278.04525 162.3
[M]- 278.04635 162.3
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

No patent data available for this compound.