PubChemLite - 79551-89-6 (C10H16FN2O14P3)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F

InChI

InChI=1S/C10H16FN2O14P3/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1

InChIKey

RUKRVHYQIIURNV-JVZYCSMKSA-N

Compound name

[[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-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]+	500.98711	191.3
[M+Na]+	522.96905	196.1
[M-H]-	498.97255	188.9
[M+NH4]+	518.01365	194.7
[M+K]+	538.94299	189.1
[M+H-H2O]+	482.97709	178.4
[M+HCOO]-	544.97803	220.0
[M+CH3COO]-	558.99368	225.9
[M+Na-2H]-	520.95450	193.5
[M]+	499.97928	179.4
[M]-	499.98038	179.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.98711

191.3

[M+Na]+

522.96905

196.1

[M-H]-

498.97255

188.9

[M+NH4]+

518.01365

194.7

[M+K]+

538.94299

189.1

[M+H-H2O]+

482.97709

178.4

[M+HCOO]-

544.97803

220.0

[M+CH3COO]-

558.99368

225.9

[M+Na-2H]-

520.95450

193.5

[M]+

499.97928

179.4

[M]-

499.98038

179.4

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

79551-89-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe