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 152.5
[M+Na]+ 258.08491 159.5
[M-H]- 234.08841 155.7
[M+NH4]+ 253.12951 166.9
[M+K]+ 274.05885 156.5
[M+H-H2O]+ 218.09295 144.5
[M+HCOO]- 280.09389 171.4
[M+CH3COO]- 294.10954 188.5
[M+Na-2H]- 256.07036 155.1
[M]+ 235.09514 149.3
[M]- 235.09624 149.3
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.