CID 135416864

40262-17-7

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CCC1C(=O)NC(=NCC2=CC=CO2)NC1=O
InChI
InChI=1S/C11H13N3O3/c1-2-8-9(15)13-11(14-10(8)16)12-6-7-4-3-5-17-7/h3-5,8H,2,6H2,1H3,(H2,12,13,14,15,16)
InChIKey
PQIVMQFYQBRTKF-UHFFFAOYSA-N
Compound name
5-ethyl-2-(furan-2-ylmethylimino)-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 153.6
[M+Na]+ 258.08491 163.2
[M+NH4]+ 253.12951 158.9
[M+K]+ 274.05885 160.5
[M-H]- 234.08841 155.4
[M+Na-2H]- 256.07036 156.6
[M]+ 235.09514 154.9
[M]- 235.09624 154.9
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.