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

6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.