CID 488927

[4-azido-5-(6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2-yl]-methanol

Structural Information

Molecular Formula
C15H20N8O2
SMILES
C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H](C[C@H](O4)CO)N=[N+]=[N-]
InChI
InChI=1S/C15H20N8O2/c16-22-21-11-5-10(6-24)25-15(11)23-8-19-12-13(17-7-18-14(12)23)20-9-3-1-2-4-9/h7-11,15,24H,1-6H2,(H,17,18,20)/t10-,11-,15+/m0/s1
InChIKey
MVHIXWGGJOLVAR-ZIBATOQPSA-N
Compound name
[(2S,4S,5R)-4-azido-5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.17093 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17821 172.1
[M+Na]+ 367.16015 176.6
[M-H]- 343.16365 180.6
[M+NH4]+ 362.20475 183.5
[M+K]+ 383.13409 169.5
[M+H-H2O]+ 327.16819 165.8
[M+HCOO]- 389.16913 195.5
[M+CH3COO]- 403.18478 212.4
[M+Na-2H]- 365.14560 177.9
[M]+ 344.17038 168.2
[M]- 344.17148 168.2
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.