CID 9576912

Binodenoson

Structural Information

Molecular Formula
C17H25N7O4
SMILES
C1CCC(CC1)/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI
InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1
InChIKey
XJFMHMFFBSOEPR-DNZQAUTHSA-N
Compound name
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

8
Patents

391.1968 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20408 190.7
[M+Na]+ 414.18602 197.7
[M+NH4]+ 409.23062 193.9
[M+K]+ 430.15996 199.1
[M-H]- 390.18952 193.9
[M+Na-2H]- 412.17147 191.8
[M]+ 391.19625 191.8
[M]- 391.19735 191.8
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