CID 135416866

Brn 0927258

Structural Information

Molecular Formula
C15H13N3O3
SMILES
C1=CC=C(C=C1)C2C(=O)NC(=NCC3=CC=CO3)NC2=O
InChI
InChI=1S/C15H13N3O3/c19-13-12(10-5-2-1-3-6-10)14(20)18-15(17-13)16-9-11-7-4-8-21-11/h1-8,12H,9H2,(H2,16,17,18,19,20)
InChIKey
PWGFTERVYKTPJL-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 163.8
[M+Na]+ 306.084918 170.4
[M-H]- 282.088424 170.2
[M+NH4]+ 301.129523 175.7
[M+K]+ 322.058858 165.9
[M+H-H2O]+ 266.092960 154.4
[M+HCOO]- 328.093901 182.8
[M+CH3COO]- 342.109551 174.3
[M+Na-2H]- 304.070366 166.6
[M]+ 283.09515142 159.5
[M]- 283.09624858 159.5
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.