CID 731496

29416-06-6

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19NO/c1-3-13-11-8-12-14(4-2)16(13)18-17(19)15-9-6-5-7-10-15/h5-12H,3-4H2,1-2H3,(H,18,19)

InChIKey

OXQRSNLENDFJRJ-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 253.14667 Da
Monoisotopic Mass: 3.5
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]+	254.153946	160.0
[M+Na]+	276.135888	166.4
[M-H]-	252.139394	166.6
[M+NH4]+	271.180493	176.8
[M+K]+	292.109828	162.2
[M+H-H2O]+	236.143930	152.2
[M+HCOO]-	298.144871	183.8
[M+CH3COO]-	312.160521	199.6
[M+Na-2H]-	274.121336	164.1
[M]+	253.14612142	160.2
[M]-	253.14721858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe