CID 488924

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

Structural Information

Molecular Formula
C11H14N8O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H14N8O2/c1-13-9-8-10(15-4-14-9)19(5-16-8)11-7(17-18-12)2-6(3-20)21-11/h4-7,11,20H,2-3H2,1H3,(H,13,14,15)/t6-,7-,11+/m0/s1
InChIKey
DFTYHWRGURNEQG-OKTBNZSVSA-N
Compound name
[(2S,4S,5R)-4-azido-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12396 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13124 160.0
[M+Na]+ 313.11318 167.8
[M-H]- 289.11668 165.8
[M+NH4]+ 308.15778 172.5
[M+K]+ 329.08712 160.7
[M+H-H2O]+ 273.12122 154.2
[M+HCOO]- 335.12216 185.5
[M+CH3COO]- 349.13781 203.5
[M+Na-2H]- 311.09863 169.9
[M]+ 290.12341 158.9
[M]- 290.12451 158.9
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.