CID 135417393

Brn 0186506

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1C(=O)NC(=NCC2=CC=CC=C2)NC1=O
InChI
InChI=1S/C11H11N3O2/c15-9-6-10(16)14-11(13-9)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13,14,15,16)
InChIKey
FQHUOXADIWXWCT-UHFFFAOYSA-N
Compound name
2-benzylimino-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 147.6
[M+Na]+ 240.074348 153.9
[M-H]- 216.077854 149.8
[M+NH4]+ 235.118953 161.9
[M+K]+ 256.048288 149.2
[M+H-H2O]+ 200.082390 139.0
[M+HCOO]- 262.083331 166.5
[M+CH3COO]- 276.098981 185.1
[M+Na-2H]- 238.059796 152.9
[M]+ 217.08458142 141.2
[M]- 217.08567858 141.2
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

No patent data available for this compound.