CID 408294

5409-64-3

Structural Information

Molecular Formula
C18H18ClN3O
SMILES
COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CCN
InChI
InChI=1S/C18H18ClN3O/c1-23-18-5-3-14(10-12(18)6-8-20)22-16-7-9-21-17-11-13(19)2-4-15(16)17/h2-5,7,9-11H,6,8,20H2,1H3,(H,21,22)
InChIKey
CLSPQKAUIFQAIM-UHFFFAOYSA-N
Compound name
N-[3-(2-aminoethyl)-4-methoxyphenyl]-7-chloroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.11383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12111 176.3
[M+Na]+ 350.10305 185.2
[M-H]- 326.10655 182.0
[M+NH4]+ 345.14765 190.3
[M+K]+ 366.07699 178.1
[M+H-H2O]+ 310.11109 167.6
[M+HCOO]- 372.11203 194.7
[M+CH3COO]- 386.12768 187.0
[M+Na-2H]- 348.08850 181.9
[M]+ 327.11328 178.9
[M]- 327.11438 178.9
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.