CID 120640

Phenatine

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC(CC1=CC=CC=C1)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H16N2O/c1-12(10-13-6-3-2-4-7-13)17-15(18)14-8-5-9-16-11-14/h2-9,11-12H,10H2,1H3,(H,17,18)

InChIKey

KJRJJAZBUWXZFN-UHFFFAOYSA-N

Compound name

N-(1-phenylpropan-2-yl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 54
Patents: 240.12627 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]+	241.13355	155.7
[M+Na]+	263.11549	160.7
[M-H]-	239.11899	160.4
[M+NH4]+	258.16009	170.9
[M+K]+	279.08943	157.2
[M+H-H2O]+	223.12353	146.9
[M+HCOO]-	285.12447	177.9
[M+CH3COO]-	299.14012	194.7
[M+Na-2H]-	261.10094	161.3
[M]+	240.12572	154.2
[M]-	240.12682	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe