CID 53339381

T808

Structural Information

Molecular Formula

C₁₇H₁₉FN₄

SMILES

C1CN(CCC1CCF)C2=NC3=NC4=CC=CC=C4N3C=C2

InChI

InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2

InChIKey

DWSFKWXDRBTTCG-UHFFFAOYSA-N

Compound name

2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 120
Patents: 298.15936 Da
Monoisotopic Mass: 3.6
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]+	299.16664	171.0
[M+Na]+	321.14858	185.4
[M+NH4]+	316.19318	179.0
[M+K]+	337.12252	178.4
[M-H]-	297.15208	173.1
[M+Na-2H]-	319.13403	177.3
[M]+	298.15881	173.6
[M]-	298.15991	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe