PubChemLite - Belizatinib (C33H44FN5O3)

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)C1CCC(CC1)N2C3=C(C=CC(=C3)CN4CCC(CC4)C(C)(C)O)N=C2NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)

InChIKey

WSTUJEXAPHIEIM-UHFFFAOYSA-N

Compound name

4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]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]+	578.35011	240.2
[M+Na]+	600.33205	239.2
[M-H]-	576.33555	245.4
[M+NH4]+	595.37665	239.9
[M+K]+	616.30599	233.1
[M+H-H2O]+	560.34009	227.2
[M+HCOO]-	622.34103	245.4
[M+CH3COO]-	636.35668	261.8
[M+Na-2H]-	598.31750	233.7
[M]+	577.34228	233.2
[M]-	577.34338	233.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

578.35011

240.2

[M+Na]+

600.33205

239.2

[M-H]-

576.33555

245.4

[M+NH4]+

595.37665

239.9

[M+K]+

616.30599

233.1

[M+H-H2O]+

560.34009

227.2

[M+HCOO]-

622.34103

245.4

[M+CH3COO]-

636.35668

261.8

[M+Na-2H]-

598.31750

233.7

[M]+

577.34228

233.2

[M]-

577.34338

233.2

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

Belizatinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe