CID 204384

Salicylamide dipropylacetate

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

CCCC(CCC)C(=O)OC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C15H21NO3/c1-3-7-11(8-4-2)15(18)19-13-10-6-5-9-12(13)14(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,16,17)

InChIKey

FTRNUAWSYMYHAH-UHFFFAOYSA-N

Compound name

(2-carbamoylphenyl) 2-propylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 263.15213 Da
Monoisotopic Mass: 3.4
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]+	264.159406	164.0
[M+Na]+	286.141348	168.6
[M-H]-	262.144854	166.5
[M+NH4]+	281.185953	179.9
[M+K]+	302.115288	166.8
[M+H-H2O]+	246.149390	156.9
[M+HCOO]-	308.150331	185.0
[M+CH3COO]-	322.165981	201.1
[M+Na-2H]-	284.126796	163.8
[M]+	263.15158142	165.6
[M]-	263.15267858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe