CID 155350

4-tert-butyl-n-ethyl-n-phenylbenzamide

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

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

InChI

InChI=1S/C19H23NO/c1-5-20(17-9-7-6-8-10-17)18(21)15-11-13-16(14-12-15)19(2,3)4/h6-14H,5H2,1-4H3

InChIKey

JUYKPNJJGNXTTF-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-ethyl-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 281.17798 Da
Monoisotopic Mass: 5.0
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]+	282.185256	168.6
[M+Na]+	304.167198	173.9
[M-H]-	280.170704	176.3
[M+NH4]+	299.211803	184.8
[M+K]+	320.141138	171.1
[M+H-H2O]+	264.175240	160.7
[M+HCOO]-	326.176181	190.7
[M+CH3COO]-	340.191831	207.5
[M+Na-2H]-	302.152646	172.5
[M]+	281.17743142	169.9
[M]-	281.17852858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe