PubChemLite - Dc-cdv (C30H58N3O6P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H58N3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-39-40(36,37)27-38-28(26-34)25-33-23-22-29(31)32-30(33)35/h22-23,28,34H,2-21,24-27H2,1H3,(H,36,37)(H2,31,32,35)/t28-/m0/s1

InChIKey

SBNJHOHLVPCMLI-NDEPHWFRSA-N

Compound name

[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-docosoxyphosphinic 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]+	588.41358	231.9
[M+Na]+	610.39552	238.8
[M-H]-	586.39902	223.2
[M+NH4]+	605.44012	231.2
[M+K]+	626.36946	231.7
[M+H-H2O]+	570.40356	240.3
[M+HCOO]-	632.40450	243.9
[M+CH3COO]-	646.42015	259.4
[M+Na-2H]-	608.38097	215.1
[M]+	587.40575	226.8
[M]-	587.40685	226.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

588.41358

231.9

[M+Na]+

610.39552

238.8

[M-H]-

586.39902

223.2

[M+NH4]+

605.44012

231.2

[M+K]+

626.36946

231.7

[M+H-H2O]+

570.40356

240.3

[M+HCOO]-

632.40450

243.9

[M+CH3COO]-

646.42015

259.4

[M+Na-2H]-

608.38097

215.1

[M]+

587.40575

226.8

[M]-

587.40685

226.8

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

Dc-cdv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe