PubChemLite - Sb 243213 (C22H19F3N4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C

InChI

InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)

InChIKey

ZETBBVYSBABLHL-UHFFFAOYSA-N

Compound name

5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-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]+	429.15328	202.4
[M+Na]+	451.13522	211.0
[M-H]-	427.13872	205.9
[M+NH4]+	446.17982	210.5
[M+K]+	467.10916	203.9
[M+H-H2O]+	411.14326	188.9
[M+HCOO]-	473.14420	215.9
[M+CH3COO]-	487.15985	229.1
[M+Na-2H]-	449.12067	202.8
[M]+	428.14545	200.2
[M]-	428.14655	200.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.15328

202.4

[M+Na]+

451.13522

211.0

[M-H]-

427.13872

205.9

[M+NH4]+

446.17982

210.5

[M+K]+

467.10916

203.9

[M+H-H2O]+

411.14326

188.9

[M+HCOO]-

473.14420

215.9

[M+CH3COO]-

487.15985

229.1

[M+Na-2H]-

449.12067

202.8

[M]+

428.14545

200.2

[M]-

428.14655

200.2

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

Sb 243213

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe