CID 123807

Ccpa

Structural Information

Molecular Formula
C15H20ClN5O4
SMILES
C1CCC(C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
InChIKey
XSMYYYQVWPZWIZ-IDTAVKCVSA-N
Compound name
(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

288
References

1162
Patents

369.1204 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12768 180.9
[M+Na]+ 392.10962 190.4
[M+NH4]+ 387.15422 185.7
[M+K]+ 408.08356 192.9
[M-H]- 368.11312 183.1
[M+Na-2H]- 390.09507 182.5
[M]+ 369.11985 182.6
[M]- 369.12095 182.6
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