CID 476456

[(2s,3s,5r)-5-[2-amino-6-[(2-phenylcyclopropyl)amino]purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C19H21N9O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)NC4CC4C5=CC=CC=C5)CO)N=[N+]=[N-]
InChI
InChI=1S/C19H21N9O2/c20-19-24-17(23-12-6-11(12)10-4-2-1-3-5-10)16-18(25-19)28(9-22-16)15-7-13(26-27-21)14(8-29)30-15/h1-5,9,11-15,29H,6-8H2,(H3,20,23,24,25)/t11?,12?,13-,14+,15+/m0/s1
InChIKey
SFURVQLTVAAIFQ-MMCPYJTDSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-[(2-phenylcyclopropyl)amino]purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.18182 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18910 186.4
[M+Na]+ 430.17104 194.3
[M-H]- 406.17454 197.8
[M+NH4]+ 425.21564 189.2
[M+K]+ 446.14498 182.4
[M+H-H2O]+ 390.17908 180.7
[M+HCOO]- 452.18002 210.9
[M+CH3COO]- 466.19567 229.9
[M+Na-2H]- 428.15649 193.6
[M]+ 407.18127 186.0
[M]- 407.18237 186.0
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.