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 153.9
[M+Na]+ 267.07402 162.1
[M-H]- 243.07752 156.5
[M+NH4]+ 262.11862 167.9
[M+K]+ 283.04796 157.1
[M+H-H2O]+ 227.08206 145.7
[M+HCOO]- 289.08300 171.5
[M+CH3COO]- 303.09865 190.6
[M+Na-2H]- 265.05947 156.3
[M]+ 244.08425 150.6
[M]- 244.08535 150.6
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