CID 328150

57514-26-8

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)OC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H24ClN3O2/c1-14(5-3-11-23)25-18-13-19(26-2)21(17-6-4-12-24-20(17)18)27-16-9-7-15(22)8-10-16/h4,6-10,12-14,25H,3,5,11,23H2,1-2H3
InChIKey
VWUOQUUYSLHJSU-UHFFFAOYSA-N
Compound name
4-N-[5-(4-chlorophenoxy)-6-methoxyquinolin-8-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

385.1557 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 192.6
[M+Na]+ 408.144918 199.6
[M-H]- 384.148424 197.9
[M+NH4]+ 403.189523 204.0
[M+K]+ 424.118858 193.2
[M+H-H2O]+ 368.152960 183.2
[M+HCOO]- 430.153901 209.1
[M+CH3COO]- 444.169551 225.8
[M+Na-2H]- 406.130366 195.6
[M]+ 385.15515142 197.1
[M]- 385.15624858 197.1
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