PubChemLite - Tafetinib (C24H29FN4O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCNC(=O)C1=C(NC\2=C1CCC/C2=C/3\C4=C(C=CC(=C4)F)NC3=O)C

InChI

InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-

InChIKey

KGSRYTUWXUESJK-FXBPSFAMSA-N

Compound name

(7Z)-N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

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]+	425.23473	204.7
[M+Na]+	447.21667	211.5
[M+NH4]+	442.26127	209.2
[M+K]+	463.19061	209.3
[M-H]-	423.22017	205.2
[M+Na-2H]-	445.20212	204.1
[M]+	424.22690	205.1
[M]-	424.22800	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.23473

204.7

[M+Na]+

447.21667

211.5

[M+NH4]+

442.26127

209.2

[M+K]+

463.19061

209.3

[M-H]-

423.22017

205.2

[M+Na-2H]-

445.20212

204.1

[M]+

424.22690

205.1

[M]-

424.22800

205.1

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

Tafetinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe