CID 463723

[(2s,5r)-5-[2-chloro-6-(cycloheptylamino)purin-9-yl]tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C17H24ClN5O2
SMILES
C1CCCC(CC1)NC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C17H24ClN5O2/c18-17-21-15(20-11-5-3-1-2-4-6-11)14-16(22-17)23(10-19-14)13-8-7-12(9-24)25-13/h10-13,24H,1-9H2,(H,20,21,22)/t12-,13+/m0/s1
InChIKey
GLNIFHQXBNVZES-QWHCGFSZSA-N
Compound name
[(2S,5R)-5-[2-chloro-6-(cycloheptylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

365.16187 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16915 185.5
[M+Na]+ 388.15109 192.0
[M-H]- 364.15459 191.1
[M+NH4]+ 383.19569 194.9
[M+K]+ 404.12503 190.2
[M+H-H2O]+ 348.15913 172.9
[M+HCOO]- 410.16007 194.8
[M+CH3COO]- 424.17572 193.4
[M+Na-2H]- 386.13654 184.0
[M]+ 365.16132 181.3
[M]- 365.16242 181.3
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.