CID 15959049

N-[[1-(2-aminoethyl)benzimidazol-2-yl]methyl]-n-methyl-5,6,7,8-tetrahydroquinolin-8-amine

Structural Information

Molecular Formula
C20H25N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C20H25N5/c1-24(18-10-4-6-15-7-5-12-22-20(15)18)14-19-23-16-8-2-3-9-17(16)25(19)13-11-21/h2-3,5,7-9,12,18H,4,6,10-11,13-14,21H2,1H3
InChIKey
OGNGDPBBSWNLRN-UHFFFAOYSA-N
Compound name
N-[[1-(2-aminoethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

335.211 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 180.1
[M+Na]+ 358.20022 186.8
[M-H]- 334.20372 185.1
[M+NH4]+ 353.24482 193.2
[M+K]+ 374.17416 180.7
[M+H-H2O]+ 318.20826 168.9
[M+HCOO]- 380.20920 199.2
[M+CH3COO]- 394.22485 189.6
[M+Na-2H]- 356.18567 184.6
[M]+ 335.21045 179.7
[M]- 335.21155 179.7
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