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]+ 206.09241 145.6
[M+Na]+ 228.07435 152.5
[M-H]- 204.07785 146.4
[M+NH4]+ 223.11895 159.8
[M+K]+ 244.04829 147.5
[M+H-H2O]+ 188.08239 137.8
[M+HCOO]- 250.08333 162.5
[M+CH3COO]- 264.09898 181.9
[M+Na-2H]- 226.05980 149.1
[M]+ 205.08458 137.3
[M]- 205.08568 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.