CID 207703

30533-82-5

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

CCCCCNC(=O)C1=C(C=CC(=C1)N)OCC#C

InChI

InChI=1S/C15H20N2O2/c1-3-5-6-9-17-15(18)13-11-12(16)7-8-14(13)19-10-4-2/h2,7-8,11H,3,5-6,9-10,16H2,1H3,(H,17,18)

InChIKey

UQFPCYPXSIRWKC-UHFFFAOYSA-N

Compound name

5-amino-N-pentyl-2-prop-2-ynoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.15247 Da
Monoisotopic Mass: 2.4
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]+	261.159746	163.9
[M+Na]+	283.141688	171.4
[M-H]-	259.145194	165.0
[M+NH4]+	278.186293	178.1
[M+K]+	299.115628	167.2
[M+H-H2O]+	243.149730	150.9
[M+HCOO]-	305.150671	181.6
[M+CH3COO]-	319.166321	208.6
[M+Na-2H]-	281.127136	164.8
[M]+	260.15192142	159.3
[M]-	260.15301858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.