CID 162833

Acrylylprocaine

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃

SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-4-15(19)17-14-9-7-13(8-10-14)16(20)21-12-11-18(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,17,19)

InChIKey

GDKWGGCUKNIXHY-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-(prop-2-enoylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.16306 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]+	291.17034	170.7
[M+Na]+	313.15228	174.7
[M-H]-	289.15578	174.8
[M+NH4]+	308.19688	186.0
[M+K]+	329.12622	173.3
[M+H-H2O]+	273.16032	162.7
[M+HCOO]-	335.16126	194.7
[M+CH3COO]-	349.17691	210.8
[M+Na-2H]-	311.13773	171.8
[M]+	290.16251	174.0
[M]-	290.16361	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe