CID 3111551

6-(4-aminophenyl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1C(NC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5,11H2,(H2,12,13,14,15)
InChIKey
XRVGYXMTPUOWHQ-UHFFFAOYSA-N
Compound name
6-(4-aminophenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

205.08513 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 145.6
[M+Na]+ 228.074348 152.5
[M-H]- 204.077854 146.4
[M+NH4]+ 223.118953 159.8
[M+K]+ 244.048288 147.5
[M+H-H2O]+ 188.082390 137.8
[M+HCOO]- 250.083331 162.5
[M+CH3COO]- 264.098981 181.9
[M+Na-2H]- 226.059796 149.1
[M]+ 205.08458142 137.3
[M]- 205.08567858 137.3
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

No patent data available for this compound.