CID 463722

41552-83-4

Structural Information

Molecular Formula
C17H25N5O4
SMILES
C1CCCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C17H25N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-1-2-4-6-10/h8-11,13-14,17,23-25H,1-7H2,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
InChIKey
LVRXGPGFWBAHOI-LSCFUAHRSA-N
Compound name
(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

363.19064 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19792 185.3
[M+Na]+ 386.17986 189.9
[M-H]- 362.18336 189.6
[M+NH4]+ 381.22446 192.7
[M+K]+ 402.15380 189.8
[M+H-H2O]+ 346.18790 174.1
[M+HCOO]- 408.18884 196.5
[M+CH3COO]- 422.20449 192.4
[M+Na-2H]- 384.16531 183.4
[M]+ 363.19009 179.2
[M]- 363.19119 179.2
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.