CID 31755

19160-62-4

Structural Information

Molecular Formula
C25H28Cl4N2O
SMILES
CCCCN(CCCC)CC(C1=CC(=NC2=C1C=C(C=C2Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C25H28Cl4N2O/c1-3-5-9-31(10-6-4-2)15-24(32)18-14-23(16-7-8-20(27)21(28)11-16)30-25-19(18)12-17(26)13-22(25)29/h7-8,11-14,24,32H,3-6,9-10,15H2,1-2H3
InChIKey
PGLJCSZNFGDTFZ-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-1-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

512.0956 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.10288 215.7
[M+Na]+ 535.08482 223.2
[M-H]- 511.08832 217.5
[M+NH4]+ 530.12942 223.7
[M+K]+ 551.05876 215.1
[M+H-H2O]+ 495.09286 208.1
[M+HCOO]- 557.09380 213.6
[M+CH3COO]- 571.10945 244.8
[M+Na-2H]- 533.07027 211.6
[M]+ 512.09505 223.0
[M]- 512.09615 223.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe