CID 451502

6-chloro-ddp

Structural Information

Molecular Formula
C10H11ClN4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C10H11ClN4O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2/t6-,7+/m0/s1
InChIKey
HYFBPEGMDSQUBT-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

45
Patents

254.05705 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06433 153.1
[M+Na]+ 277.04627 164.5
[M-H]- 253.04977 155.5
[M+NH4]+ 272.09087 168.3
[M+K]+ 293.02021 160.7
[M+H-H2O]+ 237.05431 144.6
[M+HCOO]- 299.05525 166.5
[M+CH3COO]- 313.07090 165.2
[M+Na-2H]- 275.03172 156.3
[M]+ 254.05650 156.3
[M]- 254.05760 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