CID 199190

Win 5037

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C18H27N3O/c1-3-9-19-10-5-4-6-11-20-17-14-16(22-2)13-15-8-7-12-21-18(15)17/h7-8,12-14,19-20H,3-6,9-11H2,1-2H3
InChIKey
RAKXQOOVYOXOFN-UHFFFAOYSA-N
Compound name
N'-(6-methoxyquinolin-8-yl)-N-propylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

301.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 174.9
[M+Na]+ 324.20464 186.5
[M+NH4]+ 319.24924 182.5
[M+K]+ 340.17858 177.6
[M-H]- 300.20814 178.3
[M+Na-2H]- 322.19009 180.8
[M]+ 301.21487 177.4
[M]- 301.21597 177.4
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

No patent data available for this compound.