PubChemLite - Schembl23256801 (C20H30N5O6P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H30N5O6P/c1-14(8-25-12-24-18-19(21)22-11-23-20(18)25)28-13-32(27)29-9-15(10-30-32)6-7-17(26)31-16-4-2-3-5-16/h11-12,14-16H,2-10,13H2,1H3,(H2,21,22,23)/t14-,15?,32?/m1/s1

InChIKey

NCMNTMSFOKWKJV-JKGFQTDQSA-N

Compound name

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

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]+	468.20064	204.8
[M+Na]+	490.18258	207.1
[M-H]-	466.18608	209.2
[M+NH4]+	485.22718	209.9
[M+K]+	506.15652	207.9
[M+H-H2O]+	450.19062	192.0
[M+HCOO]-	512.19156	221.2
[M+CH3COO]-	526.20721	233.1
[M+Na-2H]-	488.16803	199.5
[M]+	467.19281	206.8
[M]-	467.19391	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.20064

204.8

[M+Na]+

490.18258

207.1

[M-H]-

466.18608

209.2

[M+NH4]+

485.22718

209.9

[M+K]+

506.15652

207.9

[M+H-H2O]+

450.19062

192.0

[M+HCOO]-

512.19156

221.2

[M+CH3COO]-

526.20721

233.1

[M+Na-2H]-

488.16803

199.5

[M]+

467.19281

206.8

[M]-

467.19391

206.8

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

Schembl23256801

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe