CID 217570

Icr 190

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]+ 280.121106 162.1
[M+Na]+ 302.103048 169.6
[M-H]- 278.106554 164.6
[M+NH4]+ 297.147653 178.3
[M+K]+ 318.076988 164.2
[M+H-H2O]+ 262.111090 154.6
[M+HCOO]- 324.112031 181.2
[M+CH3COO]- 338.127681 204.3
[M+Na-2H]- 300.088496 169.8
[M]+ 279.11328142 165.9
[M]- 279.11437858 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.