CID 3077692

135319-63-0

Structural Information

Molecular Formula

C₁₇H₂₆N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)N2CCCCCC2

InChI

InChI=1S/C17H26N2O/c1-13-9-8-10-14(2)16(13)18-17(20)15(3)19-11-6-4-5-7-12-19/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20)

InChIKey

OFFCNVANOXJAME-UHFFFAOYSA-N

Compound name

2-(azepan-1-yl)-N-(2,6-dimethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.2045 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]+	275.211776	164.5
[M+Na]+	297.193718	166.2
[M-H]-	273.197224	169.8
[M+NH4]+	292.238323	177.9
[M+K]+	313.167658	168.1
[M+H-H2O]+	257.201760	156.6
[M+HCOO]-	319.202701	181.3
[M+CH3COO]-	333.218351	204.5
[M+Na-2H]-	295.179166	164.6
[M]+	274.20395142	157.6
[M]-	274.20504858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe