CID 3039089

N-(2-(1h-imidazol-4-yl)ethyl)adenosine

Structural Information

Molecular Formula
C15H19N7O4
SMILES
C1=C(NC=N1)CCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H19N7O4/c23-4-9-11(24)12(25)15(26-9)22-7-21-10-13(19-6-20-14(10)22)17-2-1-8-3-16-5-18-8/h3,5-7,9,11-12,15,23-25H,1-2,4H2,(H,16,18)(H,17,19,20)/t9-,11-,12-,15-/m1/s1
InChIKey
FSHTYAMZKGATIU-SDBHATRESA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

361.14984 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15712 181.2
[M+Na]+ 384.13906 190.5
[M+NH4]+ 379.18366 184.0
[M+K]+ 400.11300 194.4
[M-H]- 360.14256 181.8
[M+Na-2H]- 382.12451 183.2
[M]+ 361.14929 182.1
[M]- 361.15039 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe