CID 11530954

Chembl568447

Structural Information

Molecular Formula
C23H31N5
SMILES
CN(C)CCCN1C2=CC=CC=C2N=C1CN(C)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C23H31N5/c1-26(2)15-8-16-28-20-12-5-4-11-19(20)25-22(28)17-27(3)21-13-6-9-18-10-7-14-24-23(18)21/h4-5,7,10-12,14,21H,6,8-9,13,15-17H2,1-3H3
InChIKey
JEPDGRCNPREMJT-UHFFFAOYSA-N
Compound name
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

377.25793 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26521 194.4
[M+Na]+ 400.24715 199.5
[M-H]- 376.25065 200.5
[M+NH4]+ 395.29175 206.3
[M+K]+ 416.22109 194.4
[M+H-H2O]+ 360.25519 182.1
[M+HCOO]- 422.25613 213.3
[M+CH3COO]- 436.27178 203.0
[M+Na-2H]- 398.23260 197.3
[M]+ 377.25738 196.9
[M]- 377.25848 196.9
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