CID 13082

786-56-1

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C=CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,14,16,18)
InChIKey
MHZWCBPOTIWXCV-UHFFFAOYSA-N
Compound name
1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 155.7
[M+Na]+ 267.07402 168.2
[M+NH4]+ 262.11862 161.4
[M+K]+ 283.04796 162.2
[M-H]- 243.07752 156.7
[M+Na-2H]- 265.05947 160.6
[M]+ 244.08425 157.4
[M]- 244.08535 157.4
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