PubChemLite - Dtxsid30585138 (C19H25N8O10P)

Structural Information

Molecular Formula

SMILES

C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O

InChI

InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)

InChIKey

OBCJQWSXSLYWHI-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-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]+	557.15038	213.1
[M+Na]+	579.13232	217.1
[M-H]-	555.13582	203.7
[M+NH4]+	574.17692	212.4
[M+K]+	595.10626	218.0
[M+H-H2O]+	539.14036	198.3
[M+HCOO]-	601.14130	214.5
[M+CH3COO]-	615.15695	218.8
[M+Na-2H]-	577.11777	206.5
[M]+	556.14255	216.1
[M]-	556.14365	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.15038

213.1

[M+Na]+

579.13232

217.1

[M-H]-

555.13582

203.7

[M+NH4]+

574.17692

212.4

[M+K]+

595.10626

218.0

[M+H-H2O]+

539.14036

198.3

[M+HCOO]-

601.14130

214.5

[M+CH3COO]-

615.15695

218.8

[M+Na-2H]-

577.11777

206.5

[M]+

556.14255

216.1

[M]-

556.14365

216.1

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

Dtxsid30585138

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe