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]+ 284.10298 163.8
[M+Na]+ 306.08492 170.4
[M-H]- 282.08842 170.2
[M+NH4]+ 301.12952 175.7
[M+K]+ 322.05886 165.9
[M+H-H2O]+ 266.09296 154.4
[M+HCOO]- 328.09390 182.8
[M+CH3COO]- 342.10955 174.3
[M+Na-2H]- 304.07037 166.6
[M]+ 283.09515 159.5
[M]- 283.09625 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.