CID 473589

8-((4-amino-1-methylbutyl)amino)-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinoline

Structural Information

Molecular Formula
C22H25Cl2N3O2
SMILES
CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3
InChIKey
UEFVAUCKVCFRDW-UHFFFAOYSA-N
Compound name
4-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

34
Patents

433.1324 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13968 203.7
[M+Na]+ 456.12162 212.4
[M-H]- 432.12512 208.8
[M+NH4]+ 451.16622 214.4
[M+K]+ 472.09556 205.2
[M+H-H2O]+ 416.12966 195.3
[M+HCOO]- 478.13060 214.8
[M+CH3COO]- 492.14625 234.9
[M+Na-2H]- 454.10707 203.9
[M]+ 433.13185 210.8
[M]- 433.13295 210.8
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