CID 54179

C 3181

Structural Information

Molecular Formula

C₂₂H₃₄N₂O₃

SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCCCC)C(=O)CN2CCCCC2

InChI

InChI=1S/C22H34N2O3/c1-3-5-16-24(21(25)18-23-14-8-7-9-15-23)20-12-10-19(11-13-20)22(26)27-17-6-4-2/h10-13H,3-9,14-18H2,1-2H3

InChIKey

CWGHISUYLPGSKP-UHFFFAOYSA-N

Compound name

butyl 4-[butyl-(2-piperidin-1-ylacetyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.25696 Da
Monoisotopic Mass: 4.5
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]+	375.264236	195.8
[M+Na]+	397.246178	195.8
[M-H]-	373.249684	199.8
[M+NH4]+	392.290783	205.9
[M+K]+	413.220118	193.4
[M+H-H2O]+	357.254220	185.3
[M+HCOO]-	419.255161	212.3
[M+CH3COO]-	433.270811	223.8
[M+Na-2H]-	395.231626	193.3
[M]+	374.25641142	196.2
[M]-	374.25750858	196.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.