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 205.5
[M+Na]+ 492.02868 217.1
[M-H]- 468.03218 205.0
[M+NH4]+ 487.07328 214.9
[M+K]+ 508.00262 208.1
[M+H-H2O]+ 452.03672 195.6
[M+HCOO]- 514.03766 203.6
[M+CH3COO]- 528.05331 212.0
[M+Na-2H]- 490.01413 202.8
[M]+ 469.03891 211.9
[M]- 469.04001 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.