CID 46204209

Chembl1092596

Structural Information

Molecular Formula
C22H29N5
SMILES
C1CC(C2=C(C1)C=CC=N2)N(CCCCCN)CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H29N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12-13,15-16,23H2,(H,25,26)
InChIKey
VPWALYHGDSWLPU-UHFFFAOYSA-N
Compound name
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

363.2423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.24958 186.2
[M+Na]+ 386.23152 190.6
[M-H]- 362.23502 189.1
[M+NH4]+ 381.27612 197.1
[M+K]+ 402.20546 183.4
[M+H-H2O]+ 346.23956 174.8
[M+HCOO]- 408.24050 203.2
[M+CH3COO]- 422.25615 193.9
[M+Na-2H]- 384.21697 190.3
[M]+ 363.24175 184.3
[M]- 363.24285 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.