CID 133052758

1881218-32-1

Structural Information

Molecular Formula

C₁₆H₁₈N₂O

SMILES

CN(CCC(C1=CC=CC=C1)C2=CC=CC=N2)C=O

InChI

InChI=1S/C16H18N2O/c1-18(13-19)12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-17-16/h2-9,11,13,15H,10,12H2,1H3

InChIKey

SXXHPCVDFDABHW-UHFFFAOYSA-N

Compound name

N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 254.1419 Da
Monoisotopic Mass: 2.2
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]+	255.149176	159.9
[M+Na]+	277.131118	164.8
[M-H]-	253.134624	165.7
[M+NH4]+	272.175723	175.1
[M+K]+	293.105058	161.9
[M+H-H2O]+	237.139160	150.5
[M+HCOO]-	299.140101	183.1
[M+CH3COO]-	313.155751	201.0
[M+Na-2H]-	275.116566	165.4
[M]+	254.14135142	160.7
[M]-	254.14244858	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.