CID 11638842

Chembl577268

Structural Information

Molecular Formula
C21H27N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CCCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C21H27N5/c1-25(19-11-4-7-16-8-5-13-23-21(16)19)15-20-24-17-9-2-3-10-18(17)26(20)14-6-12-22/h2-3,5,8-10,13,19H,4,6-7,11-12,14-15,22H2,1H3
InChIKey
UPBCAKKETXMWBJ-UHFFFAOYSA-N
Compound name
N-[[1-(3-aminopropyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

349.22665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23393 184.6
[M+Na]+ 372.21587 190.7
[M-H]- 348.21937 189.3
[M+NH4]+ 367.26047 197.0
[M+K]+ 388.18981 184.4
[M+H-H2O]+ 332.22391 173.1
[M+HCOO]- 394.22485 203.2
[M+CH3COO]- 408.24050 193.5
[M+Na-2H]- 370.20132 188.5
[M]+ 349.22610 184.4
[M]- 349.22720 184.4
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