PubChemLite - Mk-7762 (C16H19F2N3O6S)

Structural Information

Molecular Formula

SMILES

COC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3CCS(=O)(=O)CC3)F

InChI

InChI=1S/C16H19F2N3O6S/c1-26-15(22)19-8-11-9-21(16(23)27-11)10-6-12(17)14(13(18)7-10)20-2-4-28(24,25)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22)/t11-/m0/s1

InChIKey

CCYKSCLMFZLAJH-NSHDSACASA-N

Compound name

methyl N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

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]+	420.10353	189.4
[M+Na]+	442.08547	196.9
[M-H]-	418.08897	194.6
[M+NH4]+	437.13007	199.4
[M+K]+	458.05941	194.3
[M+H-H2O]+	402.09351	180.2
[M+HCOO]-	464.09445	199.4
[M+CH3COO]-	478.11010	221.8
[M+Na-2H]-	440.07092	186.5
[M]+	419.09570	189.6
[M]-	419.09680	189.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.10353

189.4

[M+Na]+

442.08547

196.9

[M-H]-

418.08897

194.6

[M+NH4]+

437.13007

199.4

[M+K]+

458.05941

194.3

[M+H-H2O]+

402.09351

180.2

[M+HCOO]-

464.09445

199.4

[M+CH3COO]-

478.11010

221.8

[M+Na-2H]-

440.07092

186.5

[M]+

419.09570

189.6

[M]-

419.09680

189.6

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

Mk-7762

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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