CID 81857

7381-13-7

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₄

SMILES

C1CCC(=O)N(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCCCC3=O

InChI

InChI=1S/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2

InChIKey

HXZRLUTUNSQNCG-UHFFFAOYSA-N

Compound name

1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 116
Patents: 356.1736 Da
Monoisotopic Mass: 2.0
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]+	357.18088	191.5
[M+Na]+	379.16282	196.3
[M+NH4]+	374.20742	194.4
[M+K]+	395.13676	194.0
[M-H]-	355.16632	192.7
[M+Na-2H]-	377.14827	193.7
[M]+	356.17305	192.2
[M]-	356.17415	192.2

Literature stripe

literature stripe

Patent stripe

patents stripe