CID 495393

Nsc652936

Structural Information

Molecular Formula
C15H21N5O4
SMILES
C1CCOC(C1)O[C@@H]2C[C@H](O[C@H]2CO)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C15H21N5O4/c16-14-13-15(18-7-17-14)20(8-19-13)11-5-9(10(6-21)23-11)24-12-3-1-2-4-22-12/h7-12,21H,1-6H2,(H2,16,17,18)/t9-,10+,11+,12?/m1/s1
InChIKey
HZNPDLXMJUAZHB-FEZOTEKNSA-N
Compound name
[(2S,3R,5S)-5-(6-aminopurin-9-yl)-3-(oxan-2-yloxy)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15936 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.166636 174.6
[M+Na]+ 358.148578 181.1
[M-H]- 334.152084 179.8
[M+NH4]+ 353.193183 183.1
[M+K]+ 374.122518 179.2
[M+H-H2O]+ 318.156620 164.9
[M+HCOO]- 380.157561 187.9
[M+CH3COO]- 394.173211 183.7
[M+Na-2H]- 356.134026 174.6
[M]+ 335.15881142 173.4
[M]- 335.15990858 173.4
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.