CID 515988

Chembl94387

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₂

SMILES

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H28N2O2/c1-16-13-20(19-8-10-21(11-9-19)25(4)5)14-17(2)23(16)26-12-6-7-22-15-18(3)24-27-22/h8-11,13-15H,6-7,12H2,1-5H3

InChIKey

USAFZFPFFJBHGT-UHFFFAOYSA-N

Compound name

4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 364.2151 Da
Monoisotopic Mass: 5.6
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]+	365.222376	192.5
[M+Na]+	387.204318	200.2
[M-H]-	363.207824	203.5
[M+NH4]+	382.248923	204.9
[M+K]+	403.178258	197.1
[M+H-H2O]+	347.212360	182.6
[M+HCOO]-	409.213301	215.6
[M+CH3COO]-	423.228951	225.3
[M+Na-2H]-	385.189766	192.1
[M]+	364.21455142	199.3
[M]-	364.21564858	199.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.