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: 8
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]+	206.153946	149.3
[M+Na]+	228.135888	154.4
[M-H]-	204.139394	153.7
[M+NH4]+	223.180493	168.6
[M+K]+	244.109828	153.2
[M+H-H2O]+	188.143930	142.4
[M+HCOO]-	250.144871	173.5
[M+CH3COO]-	264.160521	193.1
[M+Na-2H]-	226.121336	153.6
[M]+	205.14612142	151.2
[M]-	205.14721858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe