CID 33204

Brn 2371878

Structural Information

Molecular Formula

C₁₆H₂₈N₂O

SMILES

CC(C)N(CCOCCC1=CC=C(C=C1)N)C(C)C

InChI

InChI=1S/C16H28N2O/c1-13(2)18(14(3)4)10-12-19-11-9-15-5-7-16(17)8-6-15/h5-8,13-14H,9-12,17H2,1-4H3

InChIKey

ARERBHYOFGDIPC-UHFFFAOYSA-N

Compound name

4-[2-[2-[di(propan-2-yl)amino]ethoxy]ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.22015 Da
Monoisotopic Mass: 3.0
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]+	265.227426	169.2
[M+Na]+	287.209368	172.4
[M-H]-	263.212874	172.7
[M+NH4]+	282.253973	185.6
[M+K]+	303.183308	171.3
[M+H-H2O]+	247.217410	161.4
[M+HCOO]-	309.218351	191.5
[M+CH3COO]-	323.234001	209.9
[M+Na-2H]-	285.194816	169.0
[M]+	264.21960142	170.9
[M]-	264.22069858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe