PubChemLite - Ddp-cdv (C23H44N3O7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H44N3O7P/c1-2-3-4-5-6-7-8-9-10-11-15-31-16-12-17-33-34(29,30)20-32-21(19-27)18-26-14-13-22(24)25-23(26)28/h13-14,21,27H,2-12,15-20H2,1H3,(H,29,30)(H2,24,25,28)/t21-/m0/s1

InChIKey

WZLAXSONYZVYAN-NRFANRHFSA-N

Compound name

[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-dodecoxypropoxy)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]+	506.29898	226.0
[M+Na]+	528.28092	225.7
[M-H]-	504.28442	220.3
[M+NH4]+	523.32552	210.6
[M+K]+	544.25486	222.9
[M+H-H2O]+	488.28896	213.1
[M+HCOO]-	550.28990	225.1
[M+CH3COO]-	564.30555	241.5
[M+Na-2H]-	526.26637	221.4
[M]+	505.29115	235.3
[M]-	505.29225	235.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.29898

226.0

[M+Na]+

528.28092

225.7

[M-H]-

504.28442

220.3

[M+NH4]+

523.32552

210.6

[M+K]+

544.25486

222.9

[M+H-H2O]+

488.28896

213.1

[M+HCOO]-

550.28990

225.1

[M+CH3COO]-

564.30555

241.5

[M+Na-2H]-

526.26637

221.4

[M]+

505.29115

235.3

[M]-

505.29225

235.3

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

Ddp-cdv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe