CID 451904

C-6-cl-purinenucleoside-d4

Structural Information

Molecular Formula
C11H11ClN4O
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=CN=C3Cl)CO
InChI
InChI=1S/C11H11ClN4O/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(3-8)4-17/h1-2,5-8,17H,3-4H2/t7-,8+/m1/s1
InChIKey
FAULCZNVQKAPHC-SFYZADRCSA-N
Compound name
[(1S,4R)-4-(6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

250.06213 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06941 153.3
[M+Na]+ 273.05135 165.3
[M-H]- 249.05485 155.3
[M+NH4]+ 268.09595 170.1
[M+K]+ 289.02529 159.6
[M+H-H2O]+ 233.05939 144.5
[M+HCOO]- 295.06033 168.6
[M+CH3COO]- 309.07598 165.5
[M+Na-2H]- 271.03680 156.6
[M]+ 250.06158 156.3
[M]- 250.06268 156.3
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