CID 10252009

Ezeprogind

Structural Information

Molecular Formula
C25H44N6
SMILES
CC(C)CN(CCCN1CCN(CC1)CCCNC2=NC3=CC=CC=C3N2)CC(C)C
InChI
InChI=1S/C25H44N6/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28)
InChIKey
KLKKWCPJBTXWOV-UHFFFAOYSA-N
Compound name
N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

98
Patents

428.36273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.37001 210.6
[M+Na]+ 451.35195 218.4
[M+NH4]+ 446.39655 215.4
[M+K]+ 467.32589 213.4
[M-H]- 427.35545 212.7
[M+Na-2H]- 449.33740 213.4
[M]+ 428.36218 211.9
[M]- 428.36328 211.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe