PubChemLite - Tc-cdv (C32H62N3O6P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H62N3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-41-42(38,39)29-40-30(28-36)27-35-25-24-31(33)34-32(35)37/h24-25,30,36H,2-23,26-29H2,1H3,(H,38,39)(H2,33,34,37)/t30-/m0/s1

InChIKey

ZGUNLUMZPRYSBY-PMERELPUSA-N

Compound name

[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-tetracosoxyphosphinic 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]+	616.44488	238.8
[M+Na]+	638.42682	245.3
[M-H]-	614.43032	229.3
[M+NH4]+	633.47142	238.0
[M+K]+	654.40076	239.0
[M+H-H2O]+	598.43486	229.4
[M+HCOO]-	660.43580	249.9
[M+CH3COO]-	674.45145	265.0
[M+Na-2H]-	636.41227	221.1
[M]+	615.43705	233.6
[M]-	615.43815	233.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

616.44488

238.8

[M+Na]+

638.42682

245.3

[M-H]-

614.43032

229.3

[M+NH4]+

633.47142

238.0

[M+K]+

654.40076

239.0

[M+H-H2O]+

598.43486

229.4

[M+HCOO]-

660.43580

249.9

[M+CH3COO]-

674.45145

265.0

[M+Na-2H]-

636.41227

221.1

[M]+

615.43705

233.6

[M]-

615.43815

233.6

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

Tc-cdv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe