PubChemLite - Schembl23256784 (C19H28N5O6P)

Structural Information

Molecular Formula

SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP3(=O)OCC(CO3)CC(=O)OC4CCCC4

InChI

InChI=1S/C19H28N5O6P/c1-13(7-24-11-23-17-18(20)21-10-22-19(17)24)27-12-31(26)28-8-14(9-29-31)6-16(25)30-15-4-2-3-5-15/h10-11,13-15H,2-9,12H2,1H3,(H2,20,21,22)/t13-,14?,31?/m1/s1

InChIKey

ZQOPNKMCABRDNG-KJQSPEKRSA-N

Compound name

cyclopentyl 2-[2-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]acetate

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]+	454.18501	200.6
[M+Na]+	476.16695	203.3
[M-H]-	452.17045	205.1
[M+NH4]+	471.21155	206.2
[M+K]+	492.14089	204.2
[M+H-H2O]+	436.17499	187.9
[M+HCOO]-	498.17593	217.3
[M+CH3COO]-	512.19158	230.3
[M+Na-2H]-	474.15240	195.7
[M]+	453.17718	202.2
[M]-	453.17828	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.18501

200.6

[M+Na]+

476.16695

203.3

[M-H]-

452.17045

205.1

[M+NH4]+

471.21155

206.2

[M+K]+

492.14089

204.2

[M+H-H2O]+

436.17499

187.9

[M+HCOO]-

498.17593

217.3

[M+CH3COO]-

512.19158

230.3

[M+Na-2H]-

474.15240

195.7

[M]+

453.17718

202.2

[M]-

453.17828

202.2

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

Schembl23256784

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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