CID 387862

Nsc682073

Structural Information

Molecular Formula
C20H18Cl2N4O
SMILES
CC1=NC2=CC=CC=C2N1COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H18Cl2N4O/c1-14-24-18-4-2-3-5-19(18)26(14)13-27-20(11-25-9-8-23-12-25)16-7-6-15(21)10-17(16)22/h2-10,12,20H,11,13H2,1H3
InChIKey
AUKATFAJZHBGOB-UHFFFAOYSA-N
Compound name
1-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.08575 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09303 192.7
[M+Na]+ 423.07497 203.9
[M-H]- 399.07847 198.2
[M+NH4]+ 418.11957 204.0
[M+K]+ 439.04891 195.9
[M+H-H2O]+ 383.08301 181.2
[M+HCOO]- 445.08395 202.6
[M+CH3COO]- 459.09960 202.3
[M+Na-2H]- 421.06042 191.9
[M]+ 400.08520 200.3
[M]- 400.08630 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.