PubChemLite - Odp-cdv (C29H56N3O7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O

InChI

InChI=1S/C29H56N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-22-18-23-39-40(35,36)26-38-27(25-33)24-32-20-19-28(30)31-29(32)34/h19-20,27,33H,2-18,21-26H2,1H3,(H,35,36)(H2,30,31,34)/t27-/m0/s1

InChIKey

WMOVSASCPSCXIQ-MHZLTWQESA-N

Compound name

[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-octadecoxypropoxy)phosphinic acid

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]+	590.39284	231.5
[M+Na]+	612.37478	238.1
[M-H]-	588.37828	223.8
[M+NH4]+	607.41938	231.5
[M+K]+	628.34872	230.4
[M+H-H2O]+	572.38282	222.6
[M+HCOO]-	634.38376	243.8
[M+CH3COO]-	648.39941	258.5
[M+Na-2H]-	610.36023	214.7
[M]+	589.38501	226.7
[M]-	589.38611	226.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

590.39284

231.5

[M+Na]+

612.37478

238.1

[M-H]-

588.37828

223.8

[M+NH4]+

607.41938

231.5

[M+K]+

628.34872

230.4

[M+H-H2O]+

572.38282

222.6

[M+HCOO]-

634.38376

243.8

[M+CH3COO]-

648.39941

258.5

[M+Na-2H]-

610.36023

214.7

[M]+

589.38501

226.7

[M]-

589.38611

226.7

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

Odp-cdv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe