CID 11545596

Chembl583443

Structural Information

Molecular Formula
C23H30N6
SMILES
CN(CC1=NC2=C(C=CC=C2N1)CN3CCNCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C23H30N6/c1-28(20-9-3-5-17-7-4-10-25-23(17)20)16-21-26-19-8-2-6-18(22(19)27-21)15-29-13-11-24-12-14-29/h2,4,6-8,10,20,24H,3,5,9,11-16H2,1H3,(H,26,27)
InChIKey
HOTFDACOUFWRFX-UHFFFAOYSA-N
Compound name
N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

390.2532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.26048 194.2
[M+Na]+ 413.24242 197.5
[M-H]- 389.24592 196.1
[M+NH4]+ 408.28702 200.3
[M+K]+ 429.21636 188.9
[M+H-H2O]+ 373.25046 180.6
[M+HCOO]- 435.25140 202.8
[M+CH3COO]- 449.26705 199.3
[M+Na-2H]- 411.22787 195.6
[M]+ 390.25265 186.8
[M]- 390.25375 186.8
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