PubChemLite - Schembl3525585 (C25H27ClFN3O4)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C25H27ClFN3O4/c26-18-6-4-17(5-7-18)23(31)10-11-24(32)28-15-20-16-30(25(33)34-20)19-8-9-22(21(27)14-19)29-12-2-1-3-13-29/h4-9,14,20H,1-3,10-13,15-16H2,(H,28,32)/t20-/m0/s1

InChIKey

FWIFJJJEAGNALX-FQEVSTJZSA-N

Compound name

4-(4-chlorophenyl)-N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

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]+	488.17470	217.4
[M+Na]+	510.15664	220.6
[M-H]-	486.16014	225.4
[M+NH4]+	505.20124	221.8
[M+K]+	526.13058	215.0
[M+H-H2O]+	470.16468	205.1
[M+HCOO]-	532.16562	225.1
[M+CH3COO]-	546.18127	238.2
[M+Na-2H]-	508.14209	211.0
[M]+	487.16687	215.3
[M]-	487.16797	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.17470

217.4

[M+Na]+

510.15664

220.6

[M-H]-

486.16014

225.4

[M+NH4]+

505.20124

221.8

[M+K]+

526.13058

215.0

[M+H-H2O]+

470.16468

205.1

[M+HCOO]-

532.16562

225.1

[M+CH3COO]-

546.18127

238.2

[M+Na-2H]-

508.14209

211.0

[M]+

487.16687

215.3

[M]-

487.16797

215.3

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

Schembl3525585

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe