PubChemLite - Lxh254 (C25H25F3N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)OCCO)N4CCOCC4

InChI

InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)

InChIKey

UEPXBTCUIIGYCY-UHFFFAOYSA-N

Compound name

N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-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]+	503.19008	222.1
[M+Na]+	525.17202	226.6
[M-H]-	501.17552	225.5
[M+NH4]+	520.21662	221.2
[M+K]+	541.14596	220.9
[M+H-H2O]+	485.18006	206.0
[M+HCOO]-	547.18100	230.1
[M+CH3COO]-	561.19665	240.4
[M+Na-2H]-	523.15747	221.5
[M]+	502.18225	217.3
[M]-	502.18335	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.19008

222.1

[M+Na]+

525.17202

226.6

[M-H]-

501.17552

225.5

[M+NH4]+

520.21662

221.2

[M+K]+

541.14596

220.9

[M+H-H2O]+

485.18006

206.0

[M+HCOO]-

547.18100

230.1

[M+CH3COO]-

561.19665

240.4

[M+Na-2H]-

523.15747

221.5

[M]+

502.18225

217.3

[M]-

502.18335

217.3

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

Lxh254

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe