CID 455750

Imidazopyrimidine, furan deriv.

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CCC1=C(N2C=CC=NC2=N1)C(=O)C3=CC=CO3
InChI
InChI=1S/C13H11N3O2/c1-2-9-11(12(17)10-5-3-8-18-10)16-7-4-6-14-13(16)15-9/h3-8H,2H2,1H3
InChIKey
WPLAKXWRNNFUFR-UHFFFAOYSA-N
Compound name
(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.08513 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 151.3
[M+Na]+ 264.07435 162.4
[M-H]- 240.07785 156.9
[M+NH4]+ 259.11895 168.1
[M+K]+ 280.04829 159.9
[M+H-H2O]+ 224.08239 143.2
[M+HCOO]- 286.08333 173.5
[M+CH3COO]- 300.09898 164.9
[M+Na-2H]- 262.05980 155.9
[M]+ 241.08458 156.3
[M]- 241.08568 156.3
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.