CID 3081185

Nerispirdine

Structural Information

Molecular Formula

C₁₇H₁₈FN₃

SMILES

CCCN(C1=C(C=NC=C1)F)N2C=C(C3=CC=CC=C32)C

InChI

InChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3

InChIKey

BTDHTARYCBHHPJ-UHFFFAOYSA-N

Compound name

N-(3-fluoropyridin-4-yl)-3-methyl-N-propylindol-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 192
Patents: 283.14847 Da
Monoisotopic Mass: 4.4
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]+	284.15575	165.4
[M+Na]+	306.13769	175.2
[M-H]-	282.14119	171.0
[M+NH4]+	301.18229	182.0
[M+K]+	322.11163	170.1
[M+H-H2O]+	266.14573	155.0
[M+HCOO]-	328.14667	188.5
[M+CH3COO]-	342.16232	177.7
[M+Na-2H]-	304.12314	170.0
[M]+	283.14792	168.2
[M]-	283.14902	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe