CID 494271

9-deazaadenosine

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4/c12-11-7-6(14-3-15-11)4(1-13-7)10-9(18)8(17)5(2-16)19-10/h1,3,5,8-10,13,16-18H,2H2,(H2,12,14,15)/t5-,8-,9-,10+/m1/s1
InChIKey
KEHFJRVBOUROMM-KBHCAIDQSA-N
Compound name
(2S,3R,4S,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

620
Patents

266.1015 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 158.1
[M+Na]+ 289.09072 167.4
[M+NH4]+ 284.13532 162.8
[M+K]+ 305.06466 169.2
[M-H]- 265.09422 158.6
[M+Na-2H]- 287.07617 159.2
[M]+ 266.10095 159.0
[M]- 266.10205 159.0
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