CID 657378

N6-cyclopentyladenosine

Structural Information

Molecular Formula
C15H21N5O4
SMILES
C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
InChIKey
SQMWSBKSHWARHU-SDBHATRESA-N
Compound name
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

662
References

5106
Patents

335.15936 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 175.7
[M+Na]+ 358.14858 184.0
[M+NH4]+ 353.19318 180.3
[M+K]+ 374.12252 187.3
[M-H]- 334.15208 177.7
[M+Na-2H]- 356.13403 177.3
[M]+ 335.15881 176.8
[M]- 335.15991 176.8
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