CID 135416865

40262-24-6

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C=CCC1C(=O)NC(=NCC2=CC=CO2)NC1=O
InChI
InChI=1S/C12H13N3O3/c1-2-4-9-10(16)14-12(15-11(9)17)13-7-8-5-3-6-18-8/h2-3,5-6,9H,1,4,7H2,(H2,13,14,15,16,17)
InChIKey
RBZDXORGSMEFGZ-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylimino)-5-prop-2-enyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 156.0
[M+Na]+ 270.084908 162.8
[M-H]- 246.088414 159.0
[M+NH4]+ 265.129513 169.8
[M+K]+ 286.058848 159.0
[M+H-H2O]+ 230.092950 147.9
[M+HCOO]- 292.093891 174.7
[M+CH3COO]- 306.109541 190.8
[M+Na-2H]- 268.070356 158.1
[M]+ 247.09514142 152.4
[M]- 247.09623858 152.4
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.