PubChemLite - Masitinib (C28H30N6OS)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)

InChIKey

WJEOLQLKVOPQFV-UHFFFAOYSA-N

Compound name

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]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]+	499.22746	217.7
[M+Na]+	521.20940	222.1
[M-H]-	497.21290	227.6
[M+NH4]+	516.25400	220.0
[M+K]+	537.18334	213.1
[M+H-H2O]+	481.21744	204.6
[M+HCOO]-	543.21838	229.1
[M+CH3COO]-	557.23403	223.2
[M+Na-2H]-	519.19485	215.4
[M]+	498.21963	215.3
[M]-	498.22073	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.22746

217.7

[M+Na]+

521.20940

222.1

[M-H]-

497.21290

227.6

[M+NH4]+

516.25400

220.0

[M+K]+

537.18334

213.1

[M+H-H2O]+

481.21744

204.6

[M+HCOO]-

543.21838

229.1

[M+CH3COO]-

557.23403

223.2

[M+Na-2H]-

519.19485

215.4

[M]+

498.21963

215.3

[M]-

498.22073

215.3

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

Masitinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe