PubChemLite - Flg-tp (C10H15FN5O12P3)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F

InChI

InChI=1S/C10H15FN5O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1

InChIKey

INPQLJFSFYYKQL-KVQBGUIXSA-N

Compound name

[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluorooxolan-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]+	509.99870	197.5
[M+Na]+	531.98064	202.8
[M-H]-	507.98414	192.3
[M+NH4]+	527.02524	197.2
[M+K]+	547.95458	198.7
[M+H-H2O]+	491.98868	182.7
[M+HCOO]-	553.98962	200.0
[M+CH3COO]-	568.00527	230.5
[M+Na-2H]-	529.96609	189.7
[M]+	508.99087	188.2
[M]-	508.99197	188.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.99870

197.5

[M+Na]+

531.98064

202.8

[M-H]-

507.98414

192.3

[M+NH4]+

527.02524

197.2

[M+K]+

547.95458

198.7

[M+H-H2O]+

491.98868

182.7

[M+HCOO]-

553.98962

200.0

[M+CH3COO]-

568.00527

230.5

[M+Na-2H]-

529.96609

189.7

[M]+

508.99087

188.2

[M]-

508.99197

188.2

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

Flg-tp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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