CID 11603005

Chembl568233

Structural Information

Molecular Formula
C22H29N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CCCCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C22H29N5/c1-26(20-12-6-8-17-9-7-14-24-22(17)20)16-21-25-18-10-2-3-11-19(18)27(21)15-5-4-13-23/h2-3,7,9-11,14,20H,4-6,8,12-13,15-16,23H2,1H3
InChIKey
IDGSHCFMEWBTLX-UHFFFAOYSA-N
Compound name
N-[[1-(4-aminobutyl)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

8
Patents

363.2423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.24958 188.9
[M+Na]+ 386.23152 194.6
[M-H]- 362.23502 193.5
[M+NH4]+ 381.27612 200.8
[M+K]+ 402.20546 188.1
[M+H-H2O]+ 346.23956 177.3
[M+HCOO]- 408.24050 207.2
[M+CH3COO]- 422.25615 197.4
[M+Na-2H]- 384.21697 192.3
[M]+ 363.24175 189.1
[M]- 363.24285 189.1
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