PubChemLite - Jbj4vct98y (C22H19F3N4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C22H19F3N4O2/c1-14-10-15-7-9-29(19(15)11-18(14)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-13-17-4-2-3-8-26-17/h2-6,8,10-12H,7,9,13H2,1H3,(H,28,30)

InChIKey

KLAHZRONIHBPPB-UHFFFAOYSA-N

Compound name

5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridin-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	201.2
[M+Na]+	451.13522	208.9
[M-H]-	427.13872	204.3
[M+NH4]+	446.17982	209.0
[M+K]+	467.10916	201.8
[M+H-H2O]+	411.14326	187.4
[M+HCOO]-	473.14420	214.8
[M+CH3COO]-	487.15985	227.8
[M+Na-2H]-	449.12067	202.4
[M]+	428.14545	198.6
[M]-	428.14655	198.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.15328

201.2

[M+Na]+

451.13522

208.9

[M-H]-

427.13872

204.3

[M+NH4]+

446.17982

209.0

[M+K]+

467.10916

201.8

[M+H-H2O]+

411.14326

187.4

[M+HCOO]-

473.14420

214.8

[M+CH3COO]-

487.15985

227.8

[M+Na-2H]-

449.12067

202.4

[M]+

428.14545

198.6

[M]-

428.14655

198.6

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

Jbj4vct98y

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe