CID 95812

7192-53-2

Structural Information

Molecular Formula

C₁₈H₂₇NO₂

SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)N(C)C

InChI

InChI=1S/C18H27NO2/c1-6-9-14-12-16(18(20)19(4)5)13-15(10-7-2)17(14)21-11-8-3/h8,12-13H,3,6-7,9-11H2,1-2,4-5H3

InChIKey

CIPCFGSQAPALOR-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-prop-2-enoxy-3,5-dipropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.2042 Da
Monoisotopic Mass: 4.7
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]+	290.211476	171.9
[M+Na]+	312.193418	177.9
[M-H]-	288.196924	176.5
[M+NH4]+	307.238023	188.6
[M+K]+	328.167358	175.6
[M+H-H2O]+	272.201460	164.7
[M+HCOO]-	334.202401	194.8
[M+CH3COO]-	348.218051	212.8
[M+Na-2H]-	310.178866	171.6
[M]+	289.20365142	177.6
[M]-	289.20474858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe