PubChemLite - N-(2-(1h-imidazol-4-yl)ethyl)adenosine (C15H19N7O4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	362.15712	177.9
[M+Na]+	384.13906	186.0
[M-H]-	360.14256	179.4
[M+NH4]+	379.18366	184.7
[M+K]+	400.11300	181.7
[M+H-H2O]+	344.14710	169.0
[M+HCOO]-	406.14804	191.0
[M+CH3COO]-	420.16369	186.1
[M+Na-2H]-	382.12451	176.8
[M]+	361.14929	178.5
[M]-	361.15039	178.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

362.15712

177.9

[M+Na]+

384.13906

186.0

[M-H]-

360.14256

179.4

[M+NH4]+

379.18366

184.7

[M+K]+

400.11300

181.7

[M+H-H2O]+

344.14710

169.0

[M+HCOO]-

406.14804

191.0

[M+CH3COO]-

420.16369

186.1

[M+Na-2H]-

382.12451

176.8

[M]+

361.14929

178.5

[M]-

361.15039

178.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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