PubChemLite - Uridylyl-(3',5')-uridine (C18H23N4O14P)

Structural Information

Molecular Formula

SMILES

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O

InChI

InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)

InChIKey

KXSPLNAXPMVUEC-UHFFFAOYSA-N

Compound name

[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

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]+	551.10213	208.4
[M+Na]+	573.08407	211.3
[M-H]-	549.08757	201.4
[M+NH4]+	568.12867	207.6
[M+K]+	589.05801	208.8
[M+H-H2O]+	533.09211	195.3
[M+HCOO]-	595.09305	210.0
[M+CH3COO]-	609.10870	237.9
[M+Na-2H]-	571.06952	207.4
[M]+	550.09430	204.8
[M]-	550.09540	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.10213

208.4

[M+Na]+

573.08407

211.3

[M-H]-

549.08757

201.4

[M+NH4]+

568.12867

207.6

[M+K]+

589.05801

208.8

[M+H-H2O]+

533.09211

195.3

[M+HCOO]-

595.09305

210.0

[M+CH3COO]-

609.10870

237.9

[M+Na-2H]-

571.06952

207.4

[M]+

550.09430

204.8

[M]-

550.09540

204.8

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

Uridylyl-(3',5')-uridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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