CID 137090731

2'-cl-dgmp

Structural Information

Molecular Formula
C10H13ClN5O7P
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)Cl)N=C(NC2=O)N
InChI
InChI=1S/C10H13ClN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1
InChIKey
KSENPFUUAJCDBC-DXTOWSMRSA-N
Compound name
[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0241 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.03138 177.7
[M+Na]+ 404.01332 186.7
[M-H]- 380.01682 176.5
[M+NH4]+ 399.05792 185.5
[M+K]+ 419.98726 184.2
[M+H-H2O]+ 364.02136 169.0
[M+HCOO]- 426.02230 191.2
[M+CH3COO]- 440.03795 208.3
[M+Na-2H]- 401.99877 176.6
[M]+ 381.02355 180.3
[M]- 381.02465 180.3
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.