CID 149790

(2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol

Structural Information

Molecular Formula
C14H23N5O
SMILES
CCCCCC[C@H]([C@H](C)O)N1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
InChIKey
IOSAAWHGJUZBOG-WDEREUQCSA-N
Compound name
(2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

477
References

4042
Patents

277.19025 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19753 168.0
[M+Na]+ 300.17947 175.6
[M-H]- 276.18297 165.7
[M+NH4]+ 295.22407 180.7
[M+K]+ 316.15341 171.3
[M+H-H2O]+ 260.18751 158.8
[M+HCOO]- 322.18845 184.9
[M+CH3COO]- 336.20410 202.3
[M+Na-2H]- 298.16492 170.4
[M]+ 277.18970 170.2
[M]- 277.19080 170.2
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