CID 11661361

Schembl4935692

Structural Information

Molecular Formula
C25H33N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CCN3CCCCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C25H33N5/c1-28(23-13-7-9-20-10-8-14-26-25(20)23)19-24-27-21-11-3-4-12-22(21)30(24)18-17-29-15-5-2-6-16-29/h3-4,8,10-12,14,23H,2,5-7,9,13,15-19H2,1H3
InChIKey
CGEYSKSKPCRPDK-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.2736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.28088 200.1
[M+Na]+ 426.26282 203.2
[M-H]- 402.26632 205.3
[M+NH4]+ 421.30742 208.2
[M+K]+ 442.23676 195.9
[M+H-H2O]+ 386.27086 185.8
[M+HCOO]- 448.27180 212.2
[M+CH3COO]- 462.28745 206.2
[M+Na-2H]- 424.24827 200.8
[M]+ 403.27305 196.0
[M]- 403.27415 196.0
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

patents stripe