CID 11545594

Chembl568653

Structural Information

Molecular Formula
C23H30N6
SMILES
CN1CCN(CC1)C2=CC=CC3=C2N=C(N3)CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C23H30N6/c1-27-12-14-29(15-13-27)20-10-4-8-18-23(20)26-21(25-18)16-28(2)19-9-3-6-17-7-5-11-24-22(17)19/h4-5,7-8,10-11,19H,3,6,9,12-16H2,1-2H3,(H,25,26)
InChIKey
RARYKEKXHDOFGV-UHFFFAOYSA-N
Compound name
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

390.2532 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.26048 197.1
[M+Na]+ 413.24242 201.8
[M-H]- 389.24592 200.6
[M+NH4]+ 408.28702 204.1
[M+K]+ 429.21636 193.8
[M+H-H2O]+ 373.25046 183.3
[M+HCOO]- 435.25140 207.1
[M+CH3COO]- 449.26705 203.1
[M+Na-2H]- 411.22787 197.8
[M]+ 390.25265 191.8
[M]- 390.25375 191.8
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.