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 156.0
[M+Na]+ 270.08491 162.8
[M-H]- 246.08841 159.0
[M+NH4]+ 265.12951 169.8
[M+K]+ 286.05885 159.0
[M+H-H2O]+ 230.09295 147.9
[M+HCOO]- 292.09389 174.7
[M+CH3COO]- 306.10954 190.8
[M+Na-2H]- 268.07036 158.1
[M]+ 247.09514 152.4
[M]- 247.09624 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.