CID 11568076

Schembl4935766

Structural Information

Molecular Formula
C27H31N5
SMILES
C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC=C3)CC4=NC5=CC=CC=C5N4CCCN
InChI
InChI=1S/C27H31N5/c28-16-8-18-32-24-14-5-4-13-23(24)30-26(32)20-31(19-21-9-2-1-3-10-21)25-15-6-11-22-12-7-17-29-27(22)25/h1-5,7,9-10,12-14,17,25H,6,8,11,15-16,18-20,28H2
InChIKey
VUVIURYYVFNMDW-UHFFFAOYSA-N
Compound name
N-[[1-(3-aminopropyl)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

425.25793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.26521 203.1
[M+Na]+ 448.24715 207.6
[M-H]- 424.25065 210.2
[M+NH4]+ 443.29175 211.5
[M+K]+ 464.22109 199.4
[M+H-H2O]+ 408.25519 189.7
[M+HCOO]- 470.25613 220.6
[M+CH3COO]- 484.27178 210.2
[M+Na-2H]- 446.23260 206.2
[M]+ 425.25738 202.0
[M]- 425.25848 202.0
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