PubChemLite - Tdp-cdv (C25H48N3O7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H48N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-33-18-14-19-35-36(31,32)22-34-23(21-29)20-28-16-15-24(26)27-25(28)30/h15-16,23,29H,2-14,17-22H2,1H3,(H,31,32)(H2,26,27,30)/t23-/m0/s1

InChIKey

NVJLEXOWYKDWPX-QHCPKHFHSA-N

Compound name

[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-tetradecoxypropoxy)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]+	534.33028	234.5
[M+Na]+	556.31222	224.8
[M-H]-	532.31572	211.3
[M+NH4]+	551.35682	217.7
[M+K]+	572.28616	230.1
[M+H-H2O]+	516.32026	221.2
[M+HCOO]-	578.32120	231.4
[M+CH3COO]-	592.33685	247.2
[M+Na-2H]-	554.29767	229.0
[M]+	533.32245	212.8
[M]-	533.32355	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

534.33028

234.5

[M+Na]+

556.31222

224.8

[M-H]-

532.31572

211.3

[M+NH4]+

551.35682

217.7

[M+K]+

572.28616

230.1

[M+H-H2O]+

516.32026

221.2

[M+HCOO]-

578.32120

231.4

[M+CH3COO]-

592.33685

247.2

[M+Na-2H]-

554.29767

229.0

[M]+

533.32245

212.8

[M]-

533.32355

212.8

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

Tdp-cdv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe