CID 469124

Chembl277486

Structural Information

Molecular Formula
C15H13Cl2N3O
SMILES
COC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2N)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKey
IXLAXWXWJOVSLB-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.04358 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05086 171.4
[M+Na]+ 344.03280 184.6
[M-H]- 320.03630 176.4
[M+NH4]+ 339.07740 187.5
[M+K]+ 360.00674 176.9
[M+H-H2O]+ 304.04084 163.7
[M+HCOO]- 366.04178 185.4
[M+CH3COO]- 380.05743 183.5
[M+Na-2H]- 342.01825 174.5
[M]+ 321.04303 177.8
[M]- 321.04413 177.8
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

No patent data available for this compound.