CID 215005

34745-95-4

Structural Information

Molecular Formula

C₁₇H₂₅NO₂

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=O)C=C

InChI

InChI=1S/C17H25NO2/c1-8-14(19)18-11-9-12(16(2,3)4)15(20)13(10-11)17(5,6)7/h8-10,20H,1H2,2-7H3,(H,18,19)

InChIKey

HMUWRTAPFAQCGK-UHFFFAOYSA-N

Compound name

N-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 275.18854 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]+	276.195816	166.4
[M+Na]+	298.177758	173.3
[M-H]-	274.181264	169.1
[M+NH4]+	293.222363	182.8
[M+K]+	314.151698	170.1
[M+H-H2O]+	258.185800	161.4
[M+HCOO]-	320.186741	184.6
[M+CH3COO]-	334.202391	203.4
[M+Na-2H]-	296.163206	168.9
[M]+	275.18799142	167.5
[M]-	275.18908858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe