CID 25161

264cd

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

CN(C)CCNC(=O)C1=C(C=C(C=C1)Cl)OCC=C

InChI

InChI=1S/C14H19ClN2O2/c1-4-9-19-13-10-11(15)5-6-12(13)14(18)16-7-8-17(2)3/h4-6,10H,1,7-9H2,2-3H3,(H,16,18)

InChIKey

ZBXXJZMTBSZEQQ-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-(dimethylamino)ethyl]-2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 282.1135 Da
Monoisotopic Mass: 3.0
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]+	283.120776	165.9
[M+Na]+	305.102718	172.5
[M-H]-	281.106224	170.6
[M+NH4]+	300.147323	183.0
[M+K]+	321.076658	169.0
[M+H-H2O]+	265.110760	159.5
[M+HCOO]-	327.111701	186.7
[M+CH3COO]-	341.127351	208.2
[M+Na-2H]-	303.088166	168.0
[M]+	282.11295142	171.0
[M]-	282.11404858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe