CID 9576647

Furapyrimidone

Structural Information

Molecular Formula
C9H10N4O4
SMILES
C1CNC(=O)N(C1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c14-9-10-4-1-5-12(9)11-6-7-2-3-8(17-7)13(15)16/h2-3,6H,1,4-5H2,(H,10,14)/b11-6+
InChIKey
NITMRIAAAKECLS-IZZDOVSWSA-N
Compound name
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

12
Patents

238.0702 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.077476 148.7
[M+Na]+ 261.059418 154.0
[M-H]- 237.062924 153.3
[M+NH4]+ 256.104023 162.4
[M+K]+ 277.033358 148.7
[M+H-H2O]+ 221.067460 144.8
[M+HCOO]- 283.068401 170.5
[M+CH3COO]- 297.084051 183.6
[M+Na-2H]- 259.044866 155.8
[M]+ 238.06965142 144.0
[M]- 238.07074858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe