PubChemLite - Fu8ucy2lpx (C27H24F3N5O2S)

Structural Information

Molecular Formula

SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)N=C(C=C4)C5=CC=CC=C5NS(=O)(=O)C(F)(F)F)N=C(C=C2C)C

InChI

InChI=1S/C27H24F3N5O2S/c1-4-24-33-25-16(2)13-17(3)31-26(25)35(24)15-18-9-11-21-19(14-18)10-12-22(32-21)20-7-5-6-8-23(20)34-38(36,37)27(28,29)30/h5-14,34H,4,15H2,1-3H3

InChIKey

GDHVAFNGEXASMP-UHFFFAOYSA-N

Compound name

N-[2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]phenyl]-1,1,1-trifluoromethanesulfonamide

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]+	540.16758	223.3
[M+Na]+	562.14952	235.5
[M+NH4]+	557.19412	226.4
[M+K]+	578.12346	228.7
[M-H]-	538.15302	223.4
[M+Na-2H]-	560.13497	228.8
[M]+	539.15975	225.4
[M]-	539.16085	225.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.16758

223.3

[M+Na]+

562.14952

235.5

[M+NH4]+

557.19412

226.4

[M+K]+

578.12346

228.7

[M-H]-

538.15302

223.4

[M+Na-2H]-

560.13497

228.8

[M]+

539.15975

225.4

[M]-

539.16085

225.4

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

Fu8ucy2lpx

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe