CID 452341

2'-benzylamino-dda

Structural Information

Molecular Formula
C17H20N6O2
SMILES
C1[C@H](O[C@H]([C@@H]1NCC2=CC=CC=C2)N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C17H20N6O2/c18-15-14-16(21-9-20-15)23(10-22-14)17-13(6-12(8-24)25-17)19-7-11-4-2-1-3-5-11/h1-5,9-10,12-13,17,19,24H,6-8H2,(H2,18,20,21)/t12-,13+,17+/m0/s1
InChIKey
WREDAANYCRGDHQ-OGHNNQOOSA-N
Compound name
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-(benzylamino)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16476 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17204 175.8
[M+Na]+ 363.15398 183.8
[M-H]- 339.15748 181.5
[M+NH4]+ 358.19858 185.5
[M+K]+ 379.12792 178.9
[M+H-H2O]+ 323.16202 165.5
[M+HCOO]- 385.16296 194.6
[M+CH3COO]- 399.17861 185.5
[M+Na-2H]- 361.13943 178.5
[M]+ 340.16421 175.6
[M]- 340.16531 175.6
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.