PubChemLite - Serine-3'-aminoadenosine (C13H19N7O5)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N

InChI

InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1

InChIKey

ITDKSTILAWHDJI-AYEBZEFBSA-N

Compound name

(2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-hydroxypropanamide

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]+	354.15206	176.8
[M+Na]+	376.13400	183.0
[M-H]-	352.13750	177.4
[M+NH4]+	371.17860	184.4
[M+K]+	392.10794	180.9
[M+H-H2O]+	336.14204	168.4
[M+HCOO]-	398.14298	191.7
[M+CH3COO]-	412.15863	214.7
[M+Na-2H]-	374.11945	176.3
[M]+	353.14423	175.2
[M]-	353.14533	175.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

354.15206

176.8

[M+Na]+

376.13400

183.0

[M-H]-

352.13750

177.4

[M+NH4]+

371.17860

184.4

[M+K]+

392.10794

180.9

[M+H-H2O]+

336.14204

168.4

[M+HCOO]-

398.14298

191.7

[M+CH3COO]-

412.15863

214.7

[M+Na-2H]-

374.11945

176.3

[M]+

353.14423

175.2

[M]-

353.14533

175.2

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

Serine-3'-aminoadenosine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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