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]+ 302.222696 173.4
[M+Na]+ 324.204638 178.4
[M-H]- 300.208144 175.5
[M+NH4]+ 319.249243 187.9
[M+K]+ 340.178578 173.8
[M+H-H2O]+ 284.212680 164.4
[M+HCOO]- 346.213621 195.8
[M+CH3COO]- 360.229271 212.6
[M+Na-2H]- 322.190086 179.6
[M]+ 301.21487142 176.5
[M]- 301.21596858 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

literature stripe

Patent stripe

patents stripe