PubChemLite - Sulfatinib (C24H28N6O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C

InChI

InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)

InChIKey

TTZSNFLLYPYKIL-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

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]+	481.20165	211.7
[M+Na]+	503.18359	223.5
[M+NH4]+	498.22819	216.4
[M+K]+	519.15753	217.2
[M-H]-	479.18709	216.8
[M+Na-2H]-	501.16904	220.2
[M]+	480.19382	215.1
[M]-	480.19492	215.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.20165

211.7

[M+Na]+

503.18359

223.5

[M+NH4]+

498.22819

216.4

[M+K]+

519.15753

217.2

[M-H]-

479.18709

216.8

[M+Na-2H]-

501.16904

220.2

[M]+

480.19382

215.1

[M]-

480.19492

215.1

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

Sulfatinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe