CID 666825

847035-46-5

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=COC(=C1)CNC2=CC=NC(=O)N2
InChI
InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)
InChIKey
PPZNKEWLJJEHRV-UHFFFAOYSA-N
Compound name
6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

16
Patents

191.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 137.0
[M+Na]+ 214.058688 145.7
[M-H]- 190.062194 140.9
[M+NH4]+ 209.103293 153.2
[M+K]+ 230.032628 143.2
[M+H-H2O]+ 174.066730 129.0
[M+HCOO]- 236.067671 160.5
[M+CH3COO]- 250.083321 150.2
[M+Na-2H]- 212.044136 145.2
[M]+ 191.06892142 136.7
[M]- 191.07001858 136.7
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