CID 135435058

Chembl3228661

Structural Information

Molecular Formula
C10H9N5O
SMILES
C1=COC(=C1)CN2C=NC(=N)C3=C2N=CN3
InChI
InChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h1-3,5-6,11H,4H2,(H,12,13)
InChIKey
RBSHLUOGXKSTTL-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

215.0807 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.087976 142.8
[M+Na]+ 238.069918 154.4
[M-H]- 214.073424 146.1
[M+NH4]+ 233.114523 158.4
[M+K]+ 254.043858 150.3
[M+H-H2O]+ 198.077960 134.2
[M+HCOO]- 260.078901 165.0
[M+CH3COO]- 274.094551 155.9
[M+Na-2H]- 236.055366 150.2
[M]+ 215.08015142 144.1
[M]- 215.08124858 144.1
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

No patent data available for this compound.