CID 3056024

Brn 0945785

Structural Information

Molecular Formula
C24H30N6
SMILES
CCC1=NC2=CC=CC=C2N1CN3CCN(CC3)CN4C5=CC=CC=C5N=C4CC
InChI
InChI=1S/C24H30N6/c1-3-23-25-19-9-5-7-11-21(19)29(23)17-27-13-15-28(16-14-27)18-30-22-12-8-6-10-20(22)26-24(30)4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKey
XLPAPDDVPYRKLI-UHFFFAOYSA-N
Compound name
2-ethyl-1-[[4-[(2-ethylbenzimidazol-1-yl)methyl]piperazin-1-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.2532 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.26048 203.1
[M+Na]+ 425.24242 212.3
[M-H]- 401.24592 207.2
[M+NH4]+ 420.28702 211.3
[M+K]+ 441.21636 203.3
[M+H-H2O]+ 385.25046 189.7
[M+HCOO]- 447.25140 216.4
[M+CH3COO]- 461.26705 210.7
[M+Na-2H]- 423.22787 201.7
[M]+ 402.25265 205.2
[M]- 402.25375 205.2
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.