CID 387861

Nsc682072

Structural Information

Molecular Formula
C18H14Cl2N4O
SMILES
C1=CC=C2C(=C1)NC(=N2)C(C3=C(C=C(C=C3)Cl)Cl)OCN4C=CN=C4
InChI
InChI=1S/C18H14Cl2N4O/c19-12-5-6-13(14(20)9-12)17(25-11-24-8-7-21-10-24)18-22-15-3-1-2-4-16(15)23-18/h1-10,17H,11H2,(H,22,23)
InChIKey
ZBWKROZHSABEDR-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.05447 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06175 182.3
[M+Na]+ 395.04369 193.1
[M-H]- 371.04719 186.5
[M+NH4]+ 390.08829 193.8
[M+K]+ 411.01763 184.8
[M+H-H2O]+ 355.05173 171.4
[M+HCOO]- 417.05267 191.5
[M+CH3COO]- 431.06832 191.9
[M+Na-2H]- 393.02914 183.2
[M]+ 372.05392 187.2
[M]- 372.05502 187.2
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.