CID 152483

Chembl2008533

Structural Information

Molecular Formula
C28H36N6
SMILES
CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N
InChI
InChI=1S/C28H36N6/c1-19-15-25(23-11-9-21(29)17-27(23)33-19)31-13-7-5-3-4-6-8-14-32-26-16-20(2)34-28-18-22(30)10-12-24(26)28/h9-12,15-18H,3-8,13-14,29-30H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
HGSBWBMDTHBWMP-UHFFFAOYSA-N
Compound name
4-N-[8-[(7-amino-2-methylquinolin-4-yl)amino]octyl]-2-methylquinoline-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.30014 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.30742 215.5
[M+Na]+ 479.28936 221.5
[M-H]- 455.29286 219.9
[M+NH4]+ 474.33396 222.3
[M+K]+ 495.26330 212.6
[M+H-H2O]+ 439.29740 203.3
[M+HCOO]- 501.29834 235.6
[M+CH3COO]- 515.31399 221.9
[M+Na-2H]- 477.27481 219.8
[M]+ 456.29959 216.9
[M]- 456.30069 216.9
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.