CID 453172

N-benz-6-ohme-1,4-morph-a

Structural Information

Molecular Formula
C17H20N6O2
SMILES
C1[C@H](O[C@H](CN1CC2=CC=CC=C2)N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C17H20N6O2/c18-16-15-17(20-10-19-16)23(11-21-15)14-8-22(7-13(9-24)25-14)6-12-4-2-1-3-5-12/h1-5,10-11,13-14,24H,6-9H2,(H2,18,19,20)/t13-,14+/m0/s1
InChIKey
SIUYSQQCIREYJM-UONOGXRCSA-N
Compound name
[(2S,6R)-6-(6-aminopurin-9-yl)-4-benzylmorpholin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16476 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17204 181.3
[M+Na]+ 363.15398 189.5
[M-H]- 339.15748 184.6
[M+NH4]+ 358.19858 187.8
[M+K]+ 379.12792 183.6
[M+H-H2O]+ 323.16202 169.3
[M+HCOO]- 385.16296 195.0
[M+CH3COO]- 399.17861 189.6
[M+Na-2H]- 361.13943 184.5
[M]+ 340.16421 179.6
[M]- 340.16531 179.6
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.