CID 459696

7-chloro-2-(p-chlorophenyl)-4-(3-diethylaminopropylamino)quinoline

Structural Information

Molecular Formula
C22H25Cl2N3
SMILES
CCN(CC)CCCNC1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25Cl2N3/c1-3-27(4-2)13-5-12-25-21-15-20(16-6-8-17(23)9-7-16)26-22-14-18(24)10-11-19(21)22/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,26)
InChIKey
DSRNWJNNYKFKDI-UHFFFAOYSA-N
Compound name
N-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.14255 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14983 197.6
[M+Na]+ 424.13177 205.3
[M-H]- 400.13527 203.4
[M+NH4]+ 419.17637 209.9
[M+K]+ 440.10571 197.2
[M+H-H2O]+ 384.13981 188.3
[M+HCOO]- 446.14075 210.3
[M+CH3COO]- 460.15640 231.1
[M+Na-2H]- 422.11722 200.2
[M]+ 401.14200 203.7
[M]- 401.14310 203.7
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.