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 159.0
[M+Na]+ 301.03502 168.4
[M-H]- 277.03852 160.4
[M+NH4]+ 296.07962 173.8
[M+K]+ 317.00896 161.3
[M+H-H2O]+ 261.04306 152.5
[M+HCOO]- 323.04400 170.5
[M+CH3COO]- 337.05965 191.6
[M+Na-2H]- 299.02047 161.7
[M]+ 278.04525 156.2
[M]- 278.04635 156.2
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.