CID 42487

Acrylylprocaine amid

Structural Information

Molecular Formula

C₁₆H₂₃N₃O₂

SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-4-15(20)18-14-9-7-13(8-10-14)16(21)17-11-12-19(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,17,21)(H,18,20)

InChIKey

PBUTWUPNYJDNBD-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-4-(prop-2-enoylamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 289.17902 Da
Monoisotopic Mass: 1.3
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]+	290.186296	171.8
[M+Na]+	312.168238	175.0
[M-H]-	288.171744	175.9
[M+NH4]+	307.212843	186.9
[M+K]+	328.142178	173.1
[M+H-H2O]+	272.176280	163.5
[M+HCOO]-	334.177221	196.6
[M+CH3COO]-	348.192871	213.9
[M+Na-2H]-	310.153686	173.2
[M]+	289.17847142	172.9
[M]-	289.17956858	172.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.