CID 7183

Parethoxycaine

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)OCC

InChI

InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3

InChIKey

OWWVHQUOYSPNNE-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 2671
Patents: 265.1678 Da
Monoisotopic Mass: 2.9
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]+	266.17508	164.2
[M+Na]+	288.15702	169.2
[M-H]-	264.16052	168.6
[M+NH4]+	283.20162	181.2
[M+K]+	304.13096	168.7
[M+H-H2O]+	248.16506	156.7
[M+HCOO]-	310.16600	188.2
[M+CH3COO]-	324.18165	204.2
[M+Na-2H]-	286.14247	166.8
[M]+	265.16725	170.1
[M]-	265.16835	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe