CID 6482567

N-[[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]purin-6-yl]amino]formamide

Structural Information

Molecular Formula
C12H16N6O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NNC=O)CO)O)O
InChI
InChI=1S/C12H16N6O5/c1-12(22)8(21)6(2-19)23-11(12)18-4-15-7-9(17-16-5-20)13-3-14-10(7)18/h3-6,8,11,19,21-22H,2H2,1H3,(H,16,20)(H,13,14,17)/t6-,8-,11-,12-/m1/s1
InChIKey
XHADNAJLYATHRJ-YUTYNTIBSA-N
Compound name
N-[[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]amino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.11823 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12551 167.3
[M+Na]+ 347.10745 176.6
[M-H]- 323.11095 168.6
[M+NH4]+ 342.15205 179.0
[M+K]+ 363.08139 173.9
[M+H-H2O]+ 307.11549 159.7
[M+HCOO]- 369.11643 184.7
[M+CH3COO]- 383.13208 204.8
[M+Na-2H]- 345.09290 171.9
[M]+ 324.11768 169.5
[M]- 324.11878 169.5
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.