CID 493439

215108-36-4

Structural Information

Molecular Formula
C13H16ClN5O3
SMILES
C1CC1NC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C13H16ClN5O3/c14-13-17-11(16-6-1-2-6)10-12(18-13)19(5-15-10)9-3-7(21)8(4-20)22-9/h5-9,20-21H,1-4H2,(H,16,17,18)/t7-,8+,9+/m0/s1
InChIKey
YJMBVALXDOYQIL-DJLDLDEBSA-N
Compound name
(2R,3S,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

325.09418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10146 175.3
[M+Na]+ 348.08340 187.0
[M-H]- 324.08690 180.1
[M+NH4]+ 343.12800 182.2
[M+K]+ 364.05734 180.0
[M+H-H2O]+ 308.09144 167.3
[M+HCOO]- 370.09238 187.6
[M+CH3COO]- 384.10803 185.0
[M+Na-2H]- 346.06885 175.8
[M]+ 325.09363 180.2
[M]- 325.09473 180.2
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.