CID 120202

Plasmocid

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCN(CC)CCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C17H25N3O/c1-4-20(5-2)11-7-10-18-16-13-15(21-3)12-14-8-6-9-19-17(14)16/h6,8-9,12-13,18H,4-5,7,10-11H2,1-3H3
InChIKey
WIPRQKODGRKUEW-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-methoxyquinolin-8-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

492
Patents

287.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 170.2
[M+Na]+ 310.18899 182.2
[M+NH4]+ 305.23359 178.2
[M+K]+ 326.16293 174.1
[M-H]- 286.19249 174.1
[M+Na-2H]- 308.17444 176.7
[M]+ 287.19922 173.0
[M]- 287.20032 173.0
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