PubChemLite - Bis-(sate)-acvmp (C16H24N5O8PS2)

Structural Information

Molecular Formula

SMILES

CC(=O)SCCOP(=O)(OCCOCN1C=NC2=C1N=C(NC2=O)N)OCCSC(=O)C

InChI

InChI=1S/C16H24N5O8PS2/c1-11(22)31-7-5-28-30(25,29-6-8-32-12(2)23)27-4-3-26-10-21-9-18-13-14(21)19-16(17)20-15(13)24/h9H,3-8,10H2,1-2H3,(H3,17,19,20,24)

InChIKey

NRNVVNSWWOHGOF-UHFFFAOYSA-N

Compound name

S-[2-[2-acetylsulfanylethoxy-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy]phosphoryl]oxyethyl] ethanethioate

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]+	510.08766	202.5
[M+Na]+	532.06960	206.8
[M-H]-	508.07310	198.7
[M+NH4]+	527.11420	206.1
[M+K]+	548.04354	203.9
[M+H-H2O]+	492.07764	192.4
[M+HCOO]-	554.07858	214.3
[M+CH3COO]-	568.09423	234.6
[M+Na-2H]-	530.05505	201.2
[M]+	509.07983	214.1
[M]-	509.08093	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.08766

202.5

[M+Na]+

532.06960

206.8

[M-H]-

508.07310

198.7

[M+NH4]+

527.11420

206.1

[M+K]+

548.04354

203.9

[M+H-H2O]+

492.07764

192.4

[M+HCOO]-

554.07858

214.3

[M+CH3COO]-

568.09423

234.6

[M+Na-2H]-

530.05505

201.2

[M]+

509.07983

214.1

[M]-

509.08093

214.1

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

Bis-(sate)-acvmp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe