CID 667621

129488-39-7

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)O

InChI

InChI=1S/C17H19NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-11,19H,1-3H3,(H,18,20)

InChIKey

NFTXIJBCWDLMMC-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-(4-hydroxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 269.14157 Da
Monoisotopic Mass: 3.9
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]+	270.148846	163.4
[M+Na]+	292.130788	169.8
[M-H]-	268.134294	169.0
[M+NH4]+	287.175393	179.0
[M+K]+	308.104728	165.9
[M+H-H2O]+	252.138830	156.4
[M+HCOO]-	314.139771	184.4
[M+CH3COO]-	328.155421	198.9
[M+Na-2H]-	290.116236	167.9
[M]+	269.14102142	162.7
[M]-	269.14211858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe