CID 4080063

98090-60-9

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C17H19NO2/c1-11-9-12(2)16(13(3)10-11)18-17(19)14-5-7-15(20-4)8-6-14/h5-10H,1-4H3,(H,18,19)

InChIKey

YZXYUDPTQOQBDR-UHFFFAOYSA-N

Compound name

4-methoxy-N-(2,4,6-trimethylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.14157 Da
Monoisotopic Mass: 3.8
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	162.6
[M+Na]+	292.130788	170.8
[M-H]-	268.134294	170.0
[M+NH4]+	287.175393	179.3
[M+K]+	308.104728	167.3
[M+H-H2O]+	252.138830	155.0
[M+HCOO]-	314.139771	186.6
[M+CH3COO]-	328.155421	204.1
[M+Na-2H]-	290.116236	165.4
[M]+	269.14102142	165.1
[M]-	269.14211858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe