CID 491435

Chembl28655

Structural Information

Molecular Formula
C14H14N4O2
SMILES
C1COCCC1N2C=NC3=C(N=CN=C32)C4=CC=CO4
InChI
InChI=1S/C14H14N4O2/c1-2-11(20-5-1)12-13-14(16-8-15-12)18(9-17-13)10-3-6-19-7-4-10/h1-2,5,8-10H,3-4,6-7H2
InChIKey
MVQFHFHHVSRMNX-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-9-(oxan-4-yl)purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.11166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 157.6
[M+Na]+ 293.10088 166.7
[M-H]- 269.10438 164.5
[M+NH4]+ 288.14548 169.7
[M+K]+ 309.07482 164.6
[M+H-H2O]+ 253.10892 147.7
[M+HCOO]- 315.10986 174.8
[M+CH3COO]- 329.12551 169.3
[M+Na-2H]- 291.08633 161.4
[M]+ 270.11111 158.4
[M]- 270.11221 158.4
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.