PubChemLite - Florylpicoxamid (C27H26F2N2O6)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)OC(=O)[C@H](C)NC(=O)C3=NC=CC(=C3OC(=O)C)OC

InChI

InChI=1S/C27H26F2N2O6/c1-15(31-26(33)24-25(37-17(3)32)22(35-4)13-14-30-24)27(34)36-16(2)23(18-5-9-20(28)10-6-18)19-7-11-21(29)12-8-19/h5-16,23H,1-4H3,(H,31,33)/t15-,16-/m0/s1

InChIKey

ATZHVIVDMUCBEY-HOTGVXAUSA-N

Compound name

[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

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]+	513.18318	218.8
[M+Na]+	535.16512	227.4
[M+NH4]+	530.20972	220.2
[M+K]+	551.13906	224.0
[M-H]-	511.16862	218.7
[M+Na-2H]-	533.15057	222.8
[M]+	512.17535	219.4
[M]-	512.17645	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.18318

218.8

[M+Na]+

535.16512

227.4

[M+NH4]+

530.20972

220.2

[M+K]+

551.13906

224.0

[M-H]-

511.16862

218.7

[M+Na-2H]-

533.15057

222.8

[M]+

512.17535

219.4

[M]-

512.17645

219.4

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

Florylpicoxamid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe