CID 15959054

Schembl4939407

Structural Information

Molecular Formula
C23H29N5
SMILES
CN(CC1=NC2=CC=CC=C2N1C3CCNCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C23H29N5/c1-27(21-10-4-6-17-7-5-13-25-23(17)21)16-22-26-19-8-2-3-9-20(19)28(22)18-11-14-24-15-12-18/h2-3,5,7-9,13,18,21,24H,4,6,10-12,14-16H2,1H3
InChIKey
ASUXLRCDSIRLGL-UHFFFAOYSA-N
Compound name
N-methyl-N-[(1-piperidin-4-ylbenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

375.2423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.24958 190.8
[M+Na]+ 398.23152 194.5
[M-H]- 374.23502 195.2
[M+NH4]+ 393.27612 199.6
[M+K]+ 414.20546 186.9
[M+H-H2O]+ 358.23956 177.5
[M+HCOO]- 420.24050 202.2
[M+CH3COO]- 434.25615 197.3
[M+Na-2H]- 396.21697 192.4
[M]+ 375.24175 184.5
[M]- 375.24285 184.5
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