PubChemLite - Schembl3524535 (C27H31FN4O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCCCC4)F

InChI

InChI=1S/C27H31FN4O5/c1-18(33)30-20-7-5-19(6-8-20)25(34)11-12-26(35)29-16-22-17-32(27(36)37-22)21-9-10-24(23(28)15-21)31-13-3-2-4-14-31/h5-10,15,22H,2-4,11-14,16-17H2,1H3,(H,29,35)(H,30,33)/t22-/m0/s1

InChIKey

KFCZPLBWKVYMKK-QFIPXVFZSA-N

Compound name

4-(4-acetamidophenyl)-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]+	511.23512	222.6
[M+Na]+	533.21706	223.0
[M-H]-	509.22056	230.6
[M+NH4]+	528.26166	224.5
[M+K]+	549.19100	219.4
[M+H-H2O]+	493.22510	209.8
[M+HCOO]-	555.22604	234.7
[M+CH3COO]-	569.24169	248.1
[M+Na-2H]-	531.20251	216.1
[M]+	510.22729	218.2
[M]-	510.22839	218.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.23512

222.6

[M+Na]+

533.21706

223.0

[M-H]-

509.22056

230.6

[M+NH4]+

528.26166

224.5

[M+K]+

549.19100

219.4

[M+H-H2O]+

493.22510

209.8

[M+HCOO]-

555.22604

234.7

[M+CH3COO]-

569.24169

248.1

[M+Na-2H]-

531.20251

216.1

[M]+

510.22729

218.2

[M]-

510.22839

218.2

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

Schembl3524535

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe