CID 60689

4,4'-(heptamethylenedioxy)bis(n,n-dimethylaniline) hydrochloride

Structural Information

Molecular Formula

C₂₃H₃₄N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)OCCCCCCCOC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C23H34N2O2/c1-24(2)20-10-14-22(15-11-20)26-18-8-6-5-7-9-19-27-23-16-12-21(13-17-23)25(3)4/h10-17H,5-9,18-19H2,1-4H3

InChIKey

JQNBFCDEHGTTSW-UHFFFAOYSA-N

Compound name

4-[7-[4-(dimethylamino)phenoxy]heptoxy]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 370.26202 Da
Monoisotopic Mass: 5.8
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]+	371.269296	196.2
[M+Na]+	393.251238	198.9
[M-H]-	369.254744	204.1
[M+NH4]+	388.295843	208.9
[M+K]+	409.225178	196.9
[M+H-H2O]+	353.259280	185.6
[M+HCOO]-	415.260221	220.8
[M+CH3COO]-	429.275871	231.7
[M+Na-2H]-	391.236686	197.0
[M]+	370.26147142	203.0
[M]-	370.26256858	203.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe