CID 45484626

Chembl565978

Structural Information

Molecular Formula
C18H20N4
SMILES
CN(CC1=NC2=CC=CC=C2N1)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C18H20N4/c1-22(12-17-20-14-8-2-3-9-15(14)21-17)16-10-4-6-13-7-5-11-19-18(13)16/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3,(H,20,21)
InChIKey
FSHOCXHHNGCGBX-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

292.1688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17608 167.6
[M+Na]+ 315.15802 174.7
[M-H]- 291.16152 171.7
[M+NH4]+ 310.20262 182.0
[M+K]+ 331.13196 168.5
[M+H-H2O]+ 275.16606 157.1
[M+HCOO]- 337.16700 185.5
[M+CH3COO]- 351.18265 177.7
[M+Na-2H]- 313.14347 173.6
[M]+ 292.16825 165.9
[M]- 292.16935 165.9
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