CID 516500

Schembl9028811

Structural Information

Molecular Formula
C25H28N8
SMILES
CCC1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)CC4=NC5=C(N4)C=C(C=C5)C6=NCC(N6)CC
InChI
InChI=1S/C25H28N8/c1-3-16-12-26-24(28-16)14-5-7-18-20(9-14)32-22(30-18)11-23-31-19-8-6-15(10-21(19)33-23)25-27-13-17(4-2)29-25/h5-10,16-17H,3-4,11-13H2,1-2H3,(H,26,28)(H,27,29)(H,30,32)(H,31,33)
InChIKey
BDYFOARGFOBJRR-UHFFFAOYSA-N
Compound name
6-(5-ethyl-4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(5-ethyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.24368 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.25096 201.4
[M+Na]+ 463.23290 210.6
[M-H]- 439.23640 205.3
[M+NH4]+ 458.27750 207.0
[M+K]+ 479.20684 200.6
[M+H-H2O]+ 423.24094 191.1
[M+HCOO]- 485.24188 211.3
[M+CH3COO]- 499.25753 207.7
[M+Na-2H]- 461.21835 194.2
[M]+ 440.24313 200.6
[M]- 440.24423 200.6
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.