CID 15959060

Schembl4934896

Structural Information

Molecular Formula
C28H33N5
SMILES
C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC=C3)CC4=NC5=CC=CC=C5N4CCCCN
InChI
InChI=1S/C28H33N5/c29-17-6-7-19-33-25-15-5-4-14-24(25)31-27(33)21-32(20-22-10-2-1-3-11-22)26-16-8-12-23-13-9-18-30-28(23)26/h1-5,9-11,13-15,18,26H,6-8,12,16-17,19-21,29H2
InChIKey
IDNVDBGEDKEVOV-UHFFFAOYSA-N
Compound name
N-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

439.2736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.28088 207.3
[M+Na]+ 462.26282 211.3
[M-H]- 438.26632 214.2
[M+NH4]+ 457.30742 215.1
[M+K]+ 478.23676 202.9
[M+H-H2O]+ 422.27086 193.7
[M+HCOO]- 484.27180 224.5
[M+CH3COO]- 498.28745 213.9
[M+Na-2H]- 460.24827 209.9
[M]+ 439.27305 206.5
[M]- 439.27415 206.5
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

patents stripe