CID 52251

Benzoic acid, p-amino-, 2-(2-(diethylamino)ethoxy)ethyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₃

SMILES

CCN(CC)CCOCCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C15H24N2O3/c1-3-17(4-2)9-10-19-11-12-20-15(18)13-5-7-14(16)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3

InChIKey

HSJYYWDTDKJYCT-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethoxy]ethyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.17868 Da
Monoisotopic Mass: 1.8
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]+	281.185956	168.5
[M+Na]+	303.167898	172.5
[M-H]-	279.171404	172.2
[M+NH4]+	298.212503	184.2
[M+K]+	319.141838	171.7
[M+H-H2O]+	263.175940	160.4
[M+HCOO]-	325.176881	192.8
[M+CH3COO]-	339.192531	208.6
[M+Na-2H]-	301.153346	170.3
[M]+	280.17813142	172.6
[M]-	280.17922858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe