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]+ 248.10297 157.2
[M+Na]+ 270.08491 166.7
[M+NH4]+ 265.12951 162.1
[M+K]+ 286.05885 163.7
[M-H]- 246.08841 158.8
[M+Na-2H]- 268.07036 159.9
[M]+ 247.09514 158.4
[M]- 247.09624 158.4
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.