CID 11537579

Chembl577021

Structural Information

Molecular Formula
C21H27N5
SMILES
CN(CC1=NC2=C(C=CC=C2N1)CCCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C21H27N5/c1-26(18-11-3-7-16-9-5-13-23-21(16)18)14-19-24-17-10-2-6-15(8-4-12-22)20(17)25-19/h2,5-6,9-10,13,18H,3-4,7-8,11-12,14,22H2,1H3,(H,24,25)
InChIKey
PCHFSEFNDXTJDN-UHFFFAOYSA-N
Compound name
N-[[4-(3-aminopropyl)-1H-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

6
Patents

349.22665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23393 183.8
[M+Na]+ 372.21587 189.6
[M-H]- 348.21937 187.3
[M+NH4]+ 367.26047 195.6
[M+K]+ 388.18981 182.6
[M+H-H2O]+ 332.22391 172.9
[M+HCOO]- 394.22485 201.1
[M+CH3COO]- 408.24050 192.2
[M+Na-2H]- 370.20132 187.5
[M]+ 349.22610 182.0
[M]- 349.22720 182.0
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