CID 91404854

87453-76-7

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₂

SMILES

CN(C)CCCOC(=O)C1=CC=CC=C1NCC2=CC=CC=C2

InChI

InChI=1S/C19H24N2O2/c1-21(2)13-8-14-23-19(22)17-11-6-7-12-18(17)20-15-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3

InChIKey

OGWPAAZYZSFTFT-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propyl 2-(benzylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 312.18378 Da
Monoisotopic Mass: 4.2
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]+	313.19106	176.7
[M+Na]+	335.17300	180.2
[M-H]-	311.17650	183.8
[M+NH4]+	330.21760	190.8
[M+K]+	351.14694	177.6
[M+H-H2O]+	295.18104	167.2
[M+HCOO]-	357.18198	201.5
[M+CH3COO]-	371.19763	214.8
[M+Na-2H]-	333.15845	180.0
[M]+	312.18323	179.0
[M]-	312.18433	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe