CID 476448

[(2s,3s,5r)-5-[2-amino-6-(methylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H15N9O2
SMILES
CNC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N9O2/c1-14-9-8-10(17-11(12)16-9)20(4-15-8)7-2-5(18-19-13)6(3-21)22-7/h4-7,21H,2-3H2,1H3,(H3,12,14,16,17)/t5-,6+,7+/m0/s1
InChIKey
KAHQECZIGCHGRA-RRKCRQDMSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.13486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14214 162.7
[M+Na]+ 328.12408 170.4
[M-H]- 304.12758 168.6
[M+NH4]+ 323.16868 174.3
[M+K]+ 344.09802 163.0
[M+H-H2O]+ 288.13212 156.9
[M+HCOO]- 350.13306 188.5
[M+CH3COO]- 364.14871 209.2
[M+Na-2H]- 326.10953 172.1
[M]+ 305.13431 160.5
[M]- 305.13541 160.5
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.