CID 10237323

Chembl1092301

Structural Information

Molecular Formula
C23H31N5
SMILES
CN(C)CCCCN(CC1=NC2=CC=CC=C2N1)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C23H31N5/c1-27(2)15-5-6-16-28(17-22-25-19-11-3-4-12-20(19)26-22)21-13-7-9-18-10-8-14-24-23(18)21/h3-4,8,10-12,14,21H,5-7,9,13,15-17H2,1-2H3,(H,25,26)
InChIKey
KSXGYXRHMMQMJD-UHFFFAOYSA-N
Compound name
N'-(1H-benzimidazol-2-ylmethyl)-N,N-dimethyl-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

377.25793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26521 192.2
[M+Na]+ 400.24715 196.0
[M-H]- 376.25065 196.6
[M+NH4]+ 395.29175 203.2
[M+K]+ 416.22109 190.2
[M+H-H2O]+ 360.25519 180.1
[M+HCOO]- 422.25613 209.7
[M+CH3COO]- 436.27178 200.0
[M+Na-2H]- 398.23260 195.7
[M]+ 377.25738 192.5
[M]- 377.25848 192.5
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