CID 22009902

149506-79-6

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

C1CC(=O)CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2

InChIKey

ZDHRRHRWHFBMQV-UHFFFAOYSA-N

Compound name

4-(dibenzylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 321
Patents: 293.17798 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]+	294.185256	170.6
[M+Na]+	316.167198	173.1
[M-H]-	292.170704	179.9
[M+NH4]+	311.211803	185.0
[M+K]+	332.141138	169.0
[M+H-H2O]+	276.175240	160.7
[M+HCOO]-	338.176181	191.8
[M+CH3COO]-	352.191831	207.6
[M+Na-2H]-	314.152646	173.7
[M]+	293.17743142	166.2
[M]-	293.17852858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe