CID 217570

38925-89-2

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
COC1=CC2=C(C=CN=C2C=C1)NCCNCCCl
InChI
InChI=1S/C14H18ClN3O/c1-19-11-2-3-13-12(10-11)14(4-6-17-13)18-9-8-16-7-5-15/h2-4,6,10,16H,5,7-9H2,1H3,(H,17,18)
InChIKey
FZCOIIHJFMWEDC-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(6-methoxyquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.11383 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 162.1
[M+Na]+ 302.10305 169.6
[M-H]- 278.10655 164.6
[M+NH4]+ 297.14765 178.3
[M+K]+ 318.07699 164.2
[M+H-H2O]+ 262.11109 154.6
[M+HCOO]- 324.11203 181.2
[M+CH3COO]- 338.12768 204.3
[M+Na-2H]- 300.08850 169.8
[M]+ 279.11328 165.9
[M]- 279.11438 165.9
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.