PubChemLite - 2'-3'-dideoxyguanosine-5'-triphosphate (C10H16N5O12P3)

Structural Information

Molecular Formula

SMILES

C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N

InChI

InChI=1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1

InChIKey

HDRRAMINWIWTNU-NTSWFWBYSA-N

Compound name

[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

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]+	492.00810	192.4
[M+Na]+	513.99004	197.4
[M-H]-	489.99354	186.8
[M+NH4]+	509.03464	192.0
[M+K]+	529.96398	193.8
[M+H-H2O]+	473.99808	177.3
[M+HCOO]-	535.99902	194.8
[M+CH3COO]-	550.01467	226.5
[M+Na-2H]-	511.97549	184.1
[M]+	491.00027	182.8
[M]-	491.00137	182.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.00810

192.4

[M+Na]+

513.99004

197.4

[M-H]-

489.99354

186.8

[M+NH4]+

509.03464

192.0

[M+K]+

529.96398

193.8

[M+H-H2O]+

473.99808

177.3

[M+HCOO]-

535.99902

194.8

[M+CH3COO]-

550.01467

226.5

[M+Na-2H]-

511.97549

184.1

[M]+

491.00027

182.8

[M]-

491.00137

182.8

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

2'-3'-dideoxyguanosine-5'-triphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe