PubChemLite - (+)-zk 216348 (C24H23F3N2O5)

Structural Information

Molecular Formula

SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OCC4)(C(F)(F)F)O

InChI

InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)

InChIKey

VRZVKIJRJRBQJT-UHFFFAOYSA-N

Compound name

4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide

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]+	477.16318	211.4
[M+Na]+	499.14512	218.3
[M-H]-	475.14862	215.0
[M+NH4]+	494.18972	217.9
[M+K]+	515.11906	216.0
[M+H-H2O]+	459.15316	201.7
[M+HCOO]-	521.15410	219.5
[M+CH3COO]-	535.16975	236.4
[M+Na-2H]-	497.13057	216.4
[M]+	476.15535	211.7
[M]-	476.15645	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.16318

211.4

[M+Na]+

499.14512

218.3

[M-H]-

475.14862

215.0

[M+NH4]+

494.18972

217.9

[M+K]+

515.11906

216.0

[M+H-H2O]+

459.15316

201.7

[M+HCOO]-

521.15410

219.5

[M+CH3COO]-

535.16975

236.4

[M+Na-2H]-

497.13057

216.4

[M]+

476.15535

211.7

[M]-

476.15645

211.7

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

(+)-zk 216348

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe