PubChemLite - Flt-5'-opo3h2 gly deriv. (C13H19FN3O8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C13H19FN3O8P/c1-7-5-17(13(20)16-12(7)19)10-3-8(14)9(25-10)6-24-26(21,22)15-4-11(18)23-2/h5,8-10H,3-4,6H2,1-2H3,(H2,15,21,22)(H,16,19,20)/t8-,9+,10+/m0/s1

InChIKey

WOHYNZFWVNSWIL-IVZWLZJFSA-N

Compound name

[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-methoxy-2-oxoethyl)phosphonamidic 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]+	396.09668	182.1
[M+Na]+	418.07862	188.2
[M-H]-	394.08212	182.4
[M+NH4]+	413.12322	189.7
[M+K]+	434.05256	187.9
[M+H-H2O]+	378.08666	171.3
[M+HCOO]-	440.08760	202.5
[M+CH3COO]-	454.10325	216.8
[M+Na-2H]-	416.06407	180.4
[M]+	395.08885	184.8
[M]-	395.08995	184.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

396.09668

182.1

[M+Na]+

418.07862

188.2

[M-H]-

394.08212

182.4

[M+NH4]+

413.12322

189.7

[M+K]+

434.05256

187.9

[M+H-H2O]+

378.08666

171.3

[M+HCOO]-

440.08760

202.5

[M+CH3COO]-

454.10325

216.8

[M+Na-2H]-

416.06407

180.4

[M]+

395.08885

184.8

[M]-

395.08995

184.8

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

Flt-5'-opo3h2 gly deriv.

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe