CID 516495

Schembl9024370

Structural Information

Molecular Formula
C25H28N8
SMILES
CC1(CN=C(N1)C2=CC3=C(C=C2)N=C(N3)CC4=NC5=C(N4)C=C(C=C5)C6=NCC(N6)(C)C)C
InChI
InChI=1S/C25H28N8/c1-24(2)12-26-22(32-24)14-5-7-16-18(9-14)30-20(28-16)11-21-29-17-8-6-15(10-19(17)31-21)23-27-13-25(3,4)33-23/h5-10H,11-13H2,1-4H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31)
InChIKey
ZYTCEULXCMETQH-UHFFFAOYSA-N
Compound name
6-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-2-[[6-(5,5-dimethyl-1,4-dihydroimidazol-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.25096 200.2
[M+Na]+ 463.23290 211.9
[M-H]- 439.23640 205.0
[M+NH4]+ 458.27750 209.8
[M+K]+ 479.20684 202.1
[M+H-H2O]+ 423.24094 189.6
[M+HCOO]- 485.24188 210.6
[M+CH3COO]- 499.25753 207.6
[M+Na-2H]- 461.21835 195.2
[M]+ 440.24313 200.3
[M]- 440.24423 200.3
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.