CID 15959055

Schembl4938848

Structural Information

Molecular Formula
C25H33N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CCC3CCCCN3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C25H33N5/c1-29(23-13-6-8-19-9-7-16-27-25(19)23)18-24-28-21-11-2-3-12-22(21)30(24)17-14-20-10-4-5-15-26-20/h2-3,7,9,11-12,16,20,23,26H,4-6,8,10,13-15,17-18H2,1H3
InChIKey
CEZDJMFFDIZREC-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(2-piperidin-2-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

403.2736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.28088 199.2
[M+Na]+ 426.26282 201.9
[M-H]- 402.26632 203.2
[M+NH4]+ 421.30742 206.7
[M+K]+ 442.23676 193.9
[M+H-H2O]+ 386.27086 185.4
[M+HCOO]- 448.27180 209.9
[M+CH3COO]- 462.28745 204.8
[M+Na-2H]- 424.24827 199.7
[M]+ 403.27305 193.4
[M]- 403.27415 193.4
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