CID 408515

Nsc13728

Structural Information

Molecular Formula
C31H36N4
SMILES
CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCCCC5)N6CCCCC6
InChI
InChI=1S/C31H36N4/c1-22-17-30(34-13-5-3-6-14-34)32-28-11-9-24(20-26(22)28)19-25-10-12-29-27(21-25)23(2)18-31(33-29)35-15-7-4-8-16-35/h9-12,17-18,20-21H,3-8,13-16,19H2,1-2H3
InChIKey
XVAZCKPKEMTQDI-UHFFFAOYSA-N
Compound name
4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

464.294 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.30128 223.9
[M+Na]+ 487.28322 227.7
[M-H]- 463.28672 229.9
[M+NH4]+ 482.32782 226.8
[M+K]+ 503.25716 217.0
[M+H-H2O]+ 447.29126 206.5
[M+HCOO]- 509.29220 230.4
[M+CH3COO]- 523.30785 227.6
[M+Na-2H]- 485.26867 222.8
[M]+ 464.29345 216.4
[M]- 464.29455 216.4
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.