CID 45050919

853310-79-9

Structural Information

Molecular Formula
C21H24ClN3
SMILES
CCN(CC)CCNC1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H24ClN3/c1-3-25(4-2)13-12-23-21-15-20(16-8-6-5-7-9-16)24-19-11-10-17(22)14-18(19)21/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,24)
InChIKey
ZPLFKFRELDMWJN-UHFFFAOYSA-N
Compound name
N-(6-chloro-2-phenylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16586 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17314 186.4
[M+Na]+ 376.15508 193.3
[M-H]- 352.15858 193.0
[M+NH4]+ 371.19968 200.0
[M+K]+ 392.12902 186.4
[M+H-H2O]+ 336.16312 176.6
[M+HCOO]- 398.16406 204.6
[M+CH3COO]- 412.17971 196.4
[M+Na-2H]- 374.14053 191.3
[M]+ 353.16531 190.4
[M]- 353.16641 190.4
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.