PubChemLite - 717906-29-1 (C22H21F3N6O3S)

Structural Information

Molecular Formula

SMILES

CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C

InChI

InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)

InChIKey

POJZIZBONPAWIV-UHFFFAOYSA-N

Compound name

N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]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]+	507.14208	204.3
[M+Na]+	529.12402	210.8
[M+NH4]+	524.16862	206.0
[M+K]+	545.09796	207.7
[M-H]-	505.12752	203.2
[M+Na-2H]-	527.10947	208.8
[M]+	506.13425	204.7
[M]-	506.13535	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.14208

204.3

[M+Na]+

529.12402

210.8

[M+NH4]+

524.16862

206.0

[M+K]+

545.09796

207.7

[M-H]-

505.12752

203.2

[M+Na-2H]-

527.10947

208.8

[M]+

506.13425

204.7

[M]-

506.13535

204.7

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

717906-29-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe