PubChemLite - Zamaporvint (C21H16F3N7O)

Structural Information

Molecular Formula

SMILES

CC1=C(N=CN1CC(=O)NC2=NC=C(C=C2)C3=NC=CN=C3)C4=CC(=NC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N7O/c1-13-20(14-4-5-27-17(8-14)21(22,23)24)29-12-31(13)11-19(32)30-18-3-2-15(9-28-18)16-10-25-6-7-26-16/h2-10,12H,11H2,1H3,(H,28,30,32)

InChIKey

QMLOYDPILBUVBV-UHFFFAOYSA-N

Compound name

2-[5-methyl-4-[2-(trifluoromethyl)pyridin-4-yl]imidazol-1-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide

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]+	440.14412	194.8
[M+Na]+	462.12606	206.1
[M+NH4]+	457.17066	196.7
[M+K]+	478.10000	202.8
[M-H]-	438.12956	194.4
[M+Na-2H]-	460.11151	202.9
[M]+	439.13629	195.9
[M]-	439.13739	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.14412

194.8

[M+Na]+

462.12606

206.1

[M+NH4]+

457.17066

196.7

[M+K]+

478.10000

202.8

[M-H]-

438.12956

194.4

[M+Na-2H]-

460.11151

202.9

[M]+

439.13629

195.9

[M]-

439.13739

195.9

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

Zamaporvint

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe