CID 452592

2-amino-6-chloro-ddp

Structural Information

Molecular Formula
C10H12ClN5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C10H12ClN5O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChIKey
REYMCWJLONLXGP-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

269.06796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07524 157.9
[M+Na]+ 292.05718 169.2
[M-H]- 268.06068 160.3
[M+NH4]+ 287.10178 172.2
[M+K]+ 308.03112 165.0
[M+H-H2O]+ 252.06522 149.5
[M+HCOO]- 314.06616 171.7
[M+CH3COO]- 328.08181 169.5
[M+Na-2H]- 290.04263 160.1
[M]+ 269.06741 160.0
[M]- 269.06851 160.0
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