CID 178244305

1-(furan-2-yl)-n-(7h-purin-6-yl)methanimine oxide

Structural Information

Molecular Formula
C10H7N5O2
SMILES
C1=COC(=C1)C=[N+](C2=NC=NC3=C2NC=N3)[O-]
InChI
InChI=1S/C10H7N5O2/c16-15(4-7-2-1-3-17-7)10-8-9(12-5-11-8)13-6-14-10/h1-6H,(H,11,12,13,14)
InChIKey
USNBVUCVHNPTIX-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-N-(7H-purin-6-yl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05997 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.067246 144.0
[M+Na]+ 252.049188 153.1
[M-H]- 228.052694 147.1
[M+NH4]+ 247.093793 158.0
[M+K]+ 268.023128 145.9
[M+H-H2O]+ 212.057230 139.5
[M+HCOO]- 274.058171 165.8
[M+CH3COO]- 288.073821 178.4
[M+Na-2H]- 250.034636 154.0
[M]+ 229.05942142 143.0
[M]- 229.06051858 143.0
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.