CID 95445

5419-00-1

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,15,17)
InChIKey
IEZTZCXBBTUQMD-UHFFFAOYSA-N
Compound name
5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

601
Patents

232.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 152.1
[M+Na]+ 255.07402 164.9
[M+NH4]+ 250.11862 158.3
[M+K]+ 271.04796 159.1
[M-H]- 231.07752 153.4
[M+Na-2H]- 253.05947 157.5
[M]+ 232.08425 154.0
[M]- 232.08535 154.0
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