PubChemLite - Fazt-mep (C11H15FN5O6P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C11H15FN5O6P/c1-5-3-17(11(19)14-9(5)18)10-7(12)8(15-16-13)6(23-10)4-22-24(2,20)21/h3,6-8,10H,4H2,1-2H3,(H,20,21)(H,14,18,19)/t6-,7+,8-,10-/m1/s1

InChIKey

MQANOAJBCLAHAS-IBCQBUCCSA-N

Compound name

[(2S,3R,4S,5R)-3-azido-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinic 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]+	364.08168	173.8
[M+Na]+	386.06362	181.1
[M-H]-	362.06712	177.6
[M+NH4]+	381.10822	183.5
[M+K]+	402.03756	174.9
[M+H-H2O]+	346.07166	167.2
[M+HCOO]-	408.07260	200.9
[M+CH3COO]-	422.08825	211.3
[M+Na-2H]-	384.04907	179.1
[M]+	363.07385	172.7
[M]-	363.07495	172.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.08168

173.8

[M+Na]+

386.06362

181.1

[M-H]-

362.06712

177.6

[M+NH4]+

381.10822

183.5

[M+K]+

402.03756

174.9

[M+H-H2O]+

346.07166

167.2

[M+HCOO]-

408.07260

200.9

[M+CH3COO]-

422.08825

211.3

[M+Na-2H]-

384.04907

179.1

[M]+

363.07385

172.7

[M]-

363.07495

172.7

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

Fazt-mep

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe