CID 451501

Ddbna

Structural Information

Molecular Formula
C17H19N5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4
InChI
InChI=1S/C17H19N5O2/c23-9-13-6-7-14(24-13)22-11-21-15-16(19-10-20-17(15)22)18-8-12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H,18,19,20)/t13-,14+/m0/s1
InChIKey
FTFUACKLTUPQQG-UONOGXRCSA-N
Compound name
[(2S,5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

325.15387 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 172.3
[M+Na]+ 348.14309 180.3
[M-H]- 324.14659 177.9
[M+NH4]+ 343.18769 182.9
[M+K]+ 364.11703 175.7
[M+H-H2O]+ 308.15113 161.9
[M+HCOO]- 370.15207 190.6
[M+CH3COO]- 384.16772 182.4
[M+Na-2H]- 346.12854 175.6
[M]+ 325.15332 173.1
[M]- 325.15442 173.1
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