PubChemLite - Pnu 101850 (C18H24FN4O8P)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)COP(=O)(O)O)F

InChI

InChI=1S/C18H24FN4O8P/c1-12(24)20-9-14-10-23(18(26)31-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(25)11-30-32(27,28)29/h2-3,8,14H,4-7,9-11H2,1H3,(H,20,24)(H2,27,28,29)/t14-/m0/s1

InChIKey

ZUCNNVYWVZZXGZ-AWEZNQCLSA-N

Compound name

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] dihydrogen 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]+	475.13888	203.4
[M+Na]+	497.12082	204.9
[M-H]-	473.12432	204.3
[M+NH4]+	492.16542	205.3
[M+K]+	513.09476	204.7
[M+H-H2O]+	457.12886	190.8
[M+HCOO]-	519.12980	216.7
[M+CH3COO]-	533.14545	232.3
[M+Na-2H]-	495.10627	197.9
[M]+	474.13105	200.7
[M]-	474.13215	200.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.13888

203.4

[M+Na]+

497.12082

204.9

[M-H]-

473.12432

204.3

[M+NH4]+

492.16542

205.3

[M+K]+

513.09476

204.7

[M+H-H2O]+

457.12886

190.8

[M+HCOO]-

519.12980

216.7

[M+CH3COO]-

533.14545

232.3

[M+Na-2H]-

495.10627

197.9

[M]+

474.13105

200.7

[M]-

474.13215

200.7

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

Pnu 101850

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe