CID 2480

Butacaine

Structural Information

Molecular Formula

C₁₈H₃₀N₂O₂

SMILES

CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3

InChIKey

HQFWVSGBVLEQGA-UHFFFAOYSA-N

Compound name

3-(dibutylamino)propyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 53
References: 5257
Patents: 306.23074 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]+	307.238016	179.5
[M+Na]+	329.219958	182.4
[M-H]-	305.223464	182.6
[M+NH4]+	324.264563	194.2
[M+K]+	345.193898	180.2
[M+H-H2O]+	289.228000	171.1
[M+HCOO]-	351.228941	202.6
[M+CH3COO]-	365.244591	215.6
[M+Na-2H]-	327.205406	179.6
[M]+	306.23019142	183.2
[M]-	306.23128858	183.2

Literature stripe

literature stripe

Patent stripe

patents stripe