CID 39794

50794-02-0

Structural Information

Molecular Formula

C₂₃H₃₂N₂O

SMILES

CCCN(CCC)C1=CC=C(C=C1)CC(=O)NC(C)CC2=CC=CC=C2

InChI

InChI=1S/C23H32N2O/c1-4-15-25(16-5-2)22-13-11-21(12-14-22)18-23(26)24-19(3)17-20-9-7-6-8-10-20/h6-14,19H,4-5,15-18H2,1-3H3,(H,24,26)

InChIKey

KCLKFJVOXMQQQD-UHFFFAOYSA-N

Compound name

2-[4-(dipropylamino)phenyl]-N-(1-phenylpropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 352.25146 Da
Monoisotopic Mass: 5.4
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]+	353.25874	192.2
[M+Na]+	375.24068	193.9
[M-H]-	351.24418	198.6
[M+NH4]+	370.28528	204.7
[M+K]+	391.21462	190.2
[M+H-H2O]+	335.24872	182.4
[M+HCOO]-	397.24966	214.4
[M+CH3COO]-	411.26531	225.5
[M+Na-2H]-	373.22613	192.2
[M]+	352.25091	194.0
[M]-	352.25201	194.0

Literature stripe

literature stripe

Patent stripe

patents stripe