PubChemLite - Pnu-109230 (C18H21Cl2FN4O5)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C(Cl)Cl)F)C(=O)CO

InChI

InChI=1S/C18H21Cl2FN4O5/c19-16(20)17(28)22-8-12-9-25(18(29)30-12)11-1-2-14(13(21)7-11)23-3-5-24(6-4-23)15(27)10-26/h1-2,7,12,16,26H,3-6,8-10H2,(H,22,28)/t12-/m0/s1

InChIKey

CSNDYSXSWJLKSE-LBPRGKRZSA-N

Compound name

2,2-dichloro-N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

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]+	463.09458	201.3
[M+Na]+	485.07652	205.9
[M-H]-	461.08002	204.0
[M+NH4]+	480.12112	206.1
[M+K]+	501.05046	201.6
[M+H-H2O]+	445.08456	191.5
[M+HCOO]-	507.08550	201.9
[M+CH3COO]-	521.10115	228.7
[M+Na-2H]-	483.06197	195.0
[M]+	462.08675	200.2
[M]-	462.08785	200.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.09458

201.3

[M+Na]+

485.07652

205.9

[M-H]-

461.08002

204.0

[M+NH4]+

480.12112

206.1

[M+K]+

501.05046

201.6

[M+H-H2O]+

445.08456

191.5

[M+HCOO]-

507.08550

201.9

[M+CH3COO]-

521.10115

228.7

[M+Na-2H]-

483.06197

195.0

[M]+

462.08675

200.2

[M]-

462.08785

200.2

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

Pnu-109230

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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