CID 3024401

Brn 0490842

Structural Information

Molecular Formula
C17H22ClN3
SMILES
CN(C)CCN(CCC1=CC=NC=C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H22ClN3/c1-20(2)12-13-21(17-5-3-4-16(18)14-17)11-8-15-6-9-19-10-7-15/h3-7,9-10,14H,8,11-13H2,1-2H3
InChIKey
ZOKZTIKBIICQGU-UHFFFAOYSA-N
Compound name
N'-(3-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.15024 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15752 173.1
[M+Na]+ 326.13946 178.6
[M-H]- 302.14296 180.1
[M+NH4]+ 321.18406 187.9
[M+K]+ 342.11340 174.5
[M+H-H2O]+ 286.14750 163.6
[M+HCOO]- 348.14844 193.5
[M+CH3COO]- 362.16409 215.0
[M+Na-2H]- 324.12491 177.6
[M]+ 303.14969 177.4
[M]- 303.15079 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.