CID 196433

2'-cl-damp

Structural Information

Molecular Formula
C10H13ClN5O6P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)Cl)N
InChI
InChI=1S/C10H13ClN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1
InChIKey
NQHONDYKQCGOQI-QYYRPYCUSA-N
Compound name
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-chloro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

365.0292 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03648 174.1
[M+Na]+ 388.01842 182.4
[M+NH4]+ 383.06302 176.5
[M+K]+ 403.99236 186.2
[M-H]- 364.02192 172.4
[M+Na-2H]- 386.00387 174.1
[M]+ 365.02865 174.3
[M]- 365.02975 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe