CID 474898

3'-azido-2-chloro-2',3'-dideoxyadenosine

Structural Information

Molecular Formula
C10H11ClN8O2
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H11ClN8O2/c11-10-15-8(12)7-9(16-10)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H2,12,15,16)/t4-,5+,6+/m1/s1
InChIKey
XVAZICMABFHLKX-SRQIZXRXSA-N
Compound name
[(2R,3R,5S)-5-(6-amino-2-chloropurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06934 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07662 167.8
[M+Na]+ 333.05856 177.0
[M-H]- 309.06206 172.9
[M+NH4]+ 328.10316 180.1
[M+K]+ 349.03250 168.6
[M+H-H2O]+ 293.06660 162.5
[M+HCOO]- 355.06754 188.0
[M+CH3COO]- 369.08319 204.7
[M+Na-2H]- 331.04401 175.3
[M]+ 310.06879 167.5
[M]- 310.06989 167.5
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.