CID 443234

5'-dehydroadenosine

Structural Information

Molecular Formula
C10H11N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=O)O)O)N
InChI
InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
CWNMDMYGRVHXDR-KQYNXXCUSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

265.08112 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08840 156.9
[M+Na]+ 288.07034 167.4
[M+NH4]+ 283.11494 161.4
[M+K]+ 304.04428 169.0
[M-H]- 264.07384 157.5
[M+Na-2H]- 286.05579 158.9
[M]+ 265.08057 158.0
[M]- 265.08167 158.0
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