CID 6445094

21373-57-9

Structural Information

Molecular Formula
C17H22ClN3
SMILES
CCN(CC)C/C=C\CNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C17H22ClN3/c1-3-21(4-2)12-6-5-10-19-16-9-11-20-17-13-14(18)7-8-15(16)17/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,19,20)/b6-5-
InChIKey
CWZNUAFSOAIDFD-WAYWQWQTSA-N
Compound name
(Z)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbut-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.15024 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15752 173.3
[M+Na]+ 326.13946 180.1
[M-H]- 302.14296 176.8
[M+NH4]+ 321.18406 189.2
[M+K]+ 342.11340 174.1
[M+H-H2O]+ 286.14750 165.2
[M+HCOO]- 348.14844 191.8
[M+CH3COO]- 362.16409 213.1
[M+Na-2H]- 324.12491 178.5
[M]+ 303.14969 177.2
[M]- 303.15079 177.2
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.