PubChemLite - Azd-7295 (C32H35F3N4O5S)

Structural Information

Molecular Formula

SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=C(C=CC(=C4)NC(=O)C5CC5)OC(F)(F)F

InChI

InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)

InChIKey

MAQDQJWCSSCURR-UHFFFAOYSA-N

Compound name

4-[5-(cyclopropanecarbonylamino)-2-(trifluoromethoxy)phenyl]-N-[4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide

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]+	645.23528	241.5
[M+Na]+	667.21722	248.1
[M+NH4]+	662.26182	242.6
[M+K]+	683.19116	243.7
[M-H]-	643.22072	248.3
[M+Na-2H]-	665.20267	248.2
[M]+	644.22745	245.1
[M]-	644.22855	245.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

645.23528

241.5

[M+Na]+

667.21722

248.1

[M+NH4]+

662.26182

242.6

[M+K]+

683.19116

243.7

[M-H]-

643.22072

248.3

[M+Na-2H]-

665.20267

248.2

[M]+

644.22745

245.1

[M]-

644.22855

245.1

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

Azd-7295

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe