CID 488928

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

Structural Information

Molecular Formula
C16H22N8O2
SMILES
C1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H](C[C@H](O4)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H22N8O2/c17-23-22-12-6-11(7-25)26-16(12)24-9-20-13-14(18-8-19-15(13)24)21-10-4-2-1-3-5-10/h8-12,16,25H,1-7H2,(H,18,19,21)/t11-,12-,16+/m0/s1
InChIKey
CCPNKOHCNDFFCW-MQIPJXDCSA-N
Compound name
[(2S,4S,5R)-4-azido-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.18658 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19386 176.9
[M+Na]+ 381.17580 180.4
[M-H]- 357.17930 184.2
[M+NH4]+ 376.22040 185.7
[M+K]+ 397.14974 172.3
[M+H-H2O]+ 341.18384 169.4
[M+HCOO]- 403.18478 197.7
[M+CH3COO]- 417.20043 215.5
[M+Na-2H]- 379.16125 183.7
[M]+ 358.18603 170.9
[M]- 358.18713 170.9
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.