PubChemLite - Deoxyuridine-5'-diphosphate (C9H14N2O11P2)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey

QHWZTVCCBMIIKE-SHYZEUOFSA-N

Compound name

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono 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]+	389.01458	174.3
[M+Na]+	410.99652	178.6
[M-H]-	387.00002	170.8
[M+NH4]+	406.04112	179.9
[M+K]+	426.97046	180.2
[M+H-H2O]+	371.00456	163.1
[M+HCOO]-	433.00550	195.8
[M+CH3COO]-	447.02115	204.4
[M+Na-2H]-	408.98197	175.5
[M]+	388.00675	176.0
[M]-	388.00785	176.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.01458

174.3

[M+Na]+

410.99652

178.6

[M-H]-

387.00002

170.8

[M+NH4]+

406.04112

179.9

[M+K]+

426.97046

180.2

[M+H-H2O]+

371.00456

163.1

[M+HCOO]-

433.00550

195.8

[M+CH3COO]-

447.02115

204.4

[M+Na-2H]-

408.98197

175.5

[M]+

388.00675

176.0

[M]-

388.00785

176.0

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

Deoxyuridine-5'-diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe