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

6
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 173.4
[M+Na]+ 324.20464 178.4
[M-H]- 300.20814 175.5
[M+NH4]+ 319.24924 187.9
[M+K]+ 340.17858 173.8
[M+H-H2O]+ 284.21268 164.4
[M+HCOO]- 346.21362 195.8
[M+CH3COO]- 360.22927 212.6
[M+Na-2H]- 322.19009 179.6
[M]+ 301.21487 176.5
[M]- 301.21597 176.5
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.