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

1
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

literature stripe

Patent stripe

patents stripe