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

literature stripe

Patent stripe

patents stripe