PubChemLite - Azd-8529 (C24H24F3N5O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)OC(F)(F)F)C4=NC(=NO4)CN5CCNCC5

InChI

InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3

InChIKey

IPCYZQQFECEHLI-UHFFFAOYSA-N

Compound name

7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

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]+	488.19042	215.6
[M+Na]+	510.17236	224.4
[M+NH4]+	505.21696	217.6
[M+K]+	526.14630	223.0
[M-H]-	486.17586	215.3
[M+Na-2H]-	508.15781	217.5
[M]+	487.18259	216.3
[M]-	487.18369	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.19042

215.6

[M+Na]+

510.17236

224.4

[M+NH4]+

505.21696

217.6

[M+K]+

526.14630

223.0

[M-H]-

486.17586

215.3

[M+Na-2H]-

508.15781

217.5

[M]+

487.18259

216.3

[M]-

487.18369

216.3

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

Azd-8529

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe