CID 71270

Ambasilide

Structural Information

Molecular Formula

C₂₁H₂₅N₃O

SMILES

C1C2CN(CC1CN(C2)C(=O)C3=CC=C(C=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2

InChIKey

DLNAKYFPFYUBDR-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 39
Patents: 335.19977 Da
Monoisotopic Mass: 2.7
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]+	336.20705	182.1
[M+Na]+	358.18899	185.3
[M-H]-	334.19249	186.2
[M+NH4]+	353.23359	193.0
[M+K]+	374.16293	179.0
[M+H-H2O]+	318.19703	170.9
[M+HCOO]-	380.19797	194.7
[M+CH3COO]-	394.21362	189.5
[M+Na-2H]-	356.17444	184.2
[M]+	335.19922	174.8
[M]-	335.20032	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe