CID 151118

Cpi-1189

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C

InChI

InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)

InChIKey

DJKNRCWSXSZACF-UHFFFAOYSA-N

Compound name

4-acetamido-N-tert-butylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 792
Patents: 234.13683 Da
Monoisotopic Mass: 2.0
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]+	235.14411	155.6
[M+Na]+	257.12605	164.7
[M+NH4]+	252.17065	162.0
[M+K]+	273.09999	160.4
[M-H]-	233.12955	156.8
[M+Na-2H]-	255.11150	160.4
[M]+	234.13628	156.9
[M]-	234.13738	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe