CID 94892

Propionanilide, n-butyl-

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCCCN(C1=CC=CC=C1)C(=O)CC

InChI

InChI=1S/C13H19NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3

InChIKey

NVMNYOQXNWCYTG-UHFFFAOYSA-N

Compound name

N-butyl-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.14667 Da
Monoisotopic Mass: 3.0
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]+	206.15395	149.2
[M+Na]+	228.13589	160.5
[M+NH4]+	223.18049	157.5
[M+K]+	244.10983	153.6
[M-H]-	204.13939	152.1
[M+Na-2H]-	226.12134	155.9
[M]+	205.14612	151.5
[M]-	205.14722	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe