CID 499903

N-[(4-tert-butylphenyl)methyl]-4-morpholino-aniline

Structural Information

Molecular Formula

C₂₁H₂₈N₂O

SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H28N2O/c1-21(2,3)18-6-4-17(5-7-18)16-22-19-8-10-20(11-9-19)23-12-14-24-15-13-23/h4-11,22H,12-16H2,1-3H3

InChIKey

PDRLBYAXBWFMBP-UHFFFAOYSA-N

Compound name

N-[(4-tert-butylphenyl)methyl]-4-morpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 324.22015 Da
Monoisotopic Mass: 4.8
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]+	325.227426	181.6
[M+Na]+	347.209368	185.0
[M-H]-	323.212874	189.3
[M+NH4]+	342.253973	192.2
[M+K]+	363.183308	181.2
[M+H-H2O]+	307.217410	171.5
[M+HCOO]-	369.218351	198.0
[M+CH3COO]-	383.234001	211.6
[M+Na-2H]-	345.194816	185.8
[M]+	324.21960142	178.2
[M]-	324.22069858	178.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.