CID 59438

2,2'-(n-butyliminodimethylene)bis(5,6-dichlorobenzimidazole) dihydrochloride

Structural Information

Molecular Formula
C20H19Cl4N5
SMILES
CCCCN(CC1=NC2=CC(=C(C=C2N1)Cl)Cl)CC3=NC4=CC(=C(C=C4N3)Cl)Cl
InChI
InChI=1S/C20H19Cl4N5/c1-2-3-4-29(9-19-25-15-5-11(21)12(22)6-16(15)26-19)10-20-27-17-7-13(23)14(24)8-18(17)28-20/h5-8H,2-4,9-10H2,1H3,(H,25,26)(H,27,28)
InChIKey
JRFLUWZDRSQWRT-UHFFFAOYSA-N
Compound name
N,N-bis[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.03946 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.04674 206.4
[M+Na]+ 492.02868 222.6
[M+NH4]+ 487.07328 213.3
[M+K]+ 508.00262 215.2
[M-H]- 468.03218 208.7
[M+Na-2H]- 490.01413 211.3
[M]+ 469.03891 210.5
[M]- 469.04001 210.5
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.