PubChemLite - Bp-d4tp (C20H29N2O13P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C

InChI

InChI=1S/C20H29N2O13P/c1-12(2)33-19(25)28-9-31-36(27,32-10-29-20(26)34-13(3)4)11-30-16-7-6-15(35-16)22-8-14(5)17(23)21-18(22)24/h6-8,12-13,15-16H,9-11H2,1-5H3,(H,21,23,24)/t15-,16+/m1/s1

InChIKey

QJJNLIXPTNEYNL-CVEARBPZSA-N

Compound name

[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

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]+	537.14803	207.4
[M+Na]+	559.12997	209.7
[M-H]-	535.13347	209.8
[M+NH4]+	554.17457	226.2
[M+K]+	575.10391	214.9
[M+H-H2O]+	519.13801	196.6
[M+HCOO]-	581.13895	233.4
[M+CH3COO]-	595.15460	240.9
[M+Na-2H]-	557.11542	204.3
[M]+	536.14020	221.4
[M]-	536.14130	221.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.14803

207.4

[M+Na]+

559.12997

209.7

[M-H]-

535.13347

209.8

[M+NH4]+

554.17457

226.2

[M+K]+

575.10391

214.9

[M+H-H2O]+

519.13801

196.6

[M+HCOO]-

581.13895

233.4

[M+CH3COO]-

595.15460

240.9

[M+Na-2H]-

557.11542

204.3

[M]+

536.14020

221.4

[M]-

536.14130

221.4

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

Bp-d4tp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe