CID 2797577

Srpin340

Structural Information

Molecular Formula

C₁₈H₁₈F₃N₃O

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)

InChIKey

DWFGGOFPIISJIT-UHFFFAOYSA-N

Compound name

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 29
References: 207
Patents: 349.1402 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

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]+	350.14748	180.5
[M+Na]+	372.12942	189.7
[M+NH4]+	367.17402	185.0
[M+K]+	388.10336	183.6
[M-H]-	348.13292	180.6
[M+Na-2H]-	370.11487	186.7
[M]+	349.13965	181.4
[M]-	349.14075	181.4

Literature stripe

literature stripe

Patent stripe

patents stripe