CID 239233

6-phenyl-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1C(NC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
InChIKey
GTYVCYXIFVPPIP-UHFFFAOYSA-N
Compound name
6-phenyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

24
Patents

190.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 141.1
[M+Na]+ 213.06345 147.9
[M-H]- 189.06695 142.0
[M+NH4]+ 208.10805 156.2
[M+K]+ 229.03739 143.3
[M+H-H2O]+ 173.07149 133.3
[M+HCOO]- 235.07243 157.6
[M+CH3COO]- 249.08808 176.0
[M+Na-2H]- 211.04890 145.9
[M]+ 190.07368 134.0
[M]- 190.07478 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe