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]+ 336.16664 174.6
[M+Na]+ 358.14858 181.1
[M-H]- 334.15208 179.8
[M+NH4]+ 353.19318 183.1
[M+K]+ 374.12252 179.2
[M+H-H2O]+ 318.15662 164.9
[M+HCOO]- 380.15756 187.9
[M+CH3COO]- 394.17321 183.7
[M+Na-2H]- 356.13403 174.6
[M]+ 335.15881 173.4
[M]- 335.15991 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.