PubChemLite - Acvppmpa (C17H24N10O9P2)

Structural Information

Molecular Formula

SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OCCOCN3C=NC4=C3N=C(NC4=O)N

InChI

InChI=1S/C17H24N10O9P2/c1-10(4-26-6-22-11-13(18)20-5-21-14(11)26)34-9-37(29,30)36-38(31,32)35-3-2-33-8-27-7-23-12-15(27)24-17(19)25-16(12)28/h5-7,10H,2-4,8-9H2,1H3,(H,29,30)(H,31,32)(H2,18,20,21)(H3,19,24,25,28)/t10-/m1/s1

InChIKey

VVPOUXLAZDNDKV-SNVBAGLBSA-N

Compound name

[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-hydroxyphosphoryl]oxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]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]+	575.12758	218.0
[M+Na]+	597.10952	224.0
[M-H]-	573.11302	206.1
[M+NH4]+	592.15412	216.3
[M+K]+	613.08346	213.7
[M+H-H2O]+	557.11756	198.5
[M+HCOO]-	619.11850	218.4
[M+CH3COO]-	633.13415	250.4
[M+Na-2H]-	595.09497	201.7
[M]+	574.11975	220.7
[M]-	574.12085	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.12758

218.0

[M+Na]+

597.10952

224.0

[M-H]-

573.11302

206.1

[M+NH4]+

592.15412

216.3

[M+K]+

613.08346

213.7

[M+H-H2O]+

557.11756

198.5

[M+HCOO]-

619.11850

218.4

[M+CH3COO]-

633.13415

250.4

[M+Na-2H]-

595.09497

201.7

[M]+

574.11975

220.7

[M]-

574.12085

220.7

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

Acvppmpa

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe