CID 11625019

Chembl568652

Structural Information

Molecular Formula
C22H28N6
SMILES
CN(CC1=NC2=C(N1)C=CC=C2N3CCNCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C22H28N6/c1-27(18-8-2-5-16-6-4-10-24-21(16)18)15-20-25-17-7-3-9-19(22(17)26-20)28-13-11-23-12-14-28/h3-4,6-7,9-10,18,23H,2,5,8,11-15H2,1H3,(H,25,26)
InChIKey
AIVVNDNIWAQWOH-UHFFFAOYSA-N
Compound name
N-methyl-N-[(4-piperazin-1-yl-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

376.23755 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24483 190.1
[M+Na]+ 399.22677 194.0
[M-H]- 375.23027 192.2
[M+NH4]+ 394.27137 196.8
[M+K]+ 415.20071 185.5
[M+H-H2O]+ 359.23481 176.8
[M+HCOO]- 421.23575 199.1
[M+CH3COO]- 435.25140 195.7
[M+Na-2H]- 397.21222 192.1
[M]+ 376.23700 182.5
[M]- 376.23810 182.5
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