PubChemLite - Cadazolid (C29H29F2N3O8)

Structural Information

Molecular Formula

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)(COC5=C(C=C(C=C5)N6C[C@@H](OC6=O)CO)F)O)F)C(=O)O

InChI

InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1

InChIKey

XWFCFMXQTBGXQW-GOSISDBHSA-N

Compound name

1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid

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]+	586.19954	233.7
[M+Na]+	608.18148	240.8
[M-H]-	584.18498	240.7
[M+NH4]+	603.22608	229.3
[M+K]+	624.15542	235.3
[M+H-H2O]+	568.18952	222.6
[M+HCOO]-	630.19046	237.7
[M+CH3COO]-	644.20611	237.3
[M+Na-2H]-	606.16693	226.7
[M]+	585.19171	234.6
[M]-	585.19281	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

586.19954

233.7

[M+Na]+

608.18148

240.8

[M-H]-

584.18498

240.7

[M+NH4]+

603.22608

229.3

[M+K]+

624.15542

235.3

[M+H-H2O]+

568.18952

222.6

[M+HCOO]-

630.19046

237.7

[M+CH3COO]-

644.20611

237.3

[M+Na-2H]-

606.16693

226.7

[M]+

585.19171

234.6

[M]-

585.19281

234.6

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

Cadazolid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe