CID 72567

Nsc 5498

Structural Information

Molecular Formula
C27H36N4O
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCCN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C27H36N4O/c1-32-25-20-24-12-9-14-29-27(24)26(21-25)28-13-7-2-3-8-15-30-16-18-31(19-17-30)22-23-10-5-4-6-11-23/h4-6,9-12,14,20-21,28H,2-3,7-8,13,15-19,22H2,1H3
InChIKey
ODYGOPWVQBFLGX-UHFFFAOYSA-N
Compound name
N-[6-(4-benzylpiperazin-1-yl)hexyl]-6-methoxyquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2889 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.29618 213.4
[M+Na]+ 455.27812 227.4
[M+NH4]+ 450.32272 220.4
[M+K]+ 471.25206 216.4
[M-H]- 431.28162 219.8
[M+Na-2H]- 453.26357 221.4
[M]+ 432.28835 217.2
[M]- 432.28945 217.2
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.