CID 9566901

Chembl577383

Structural Information

Molecular Formula
C23H20ClN3O2
SMILES
COC1=C(C=C(C=C1)/C=N/C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C23H20ClN3O2/c1-28-21-12-9-17(13-22(21)29-2)14-25-23-26-19-5-3-4-6-20(19)27(23)15-16-7-10-18(24)11-8-16/h3-14H,15H2,1-2H3/b25-14+
InChIKey
MYECQEXMYQWWPG-AFUMVMLFSA-N
Compound name
(E)-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3,4-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

405.1244 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13168 198.8
[M+Na]+ 428.11362 209.8
[M-H]- 404.11712 208.7
[M+NH4]+ 423.15822 210.9
[M+K]+ 444.08756 202.1
[M+H-H2O]+ 388.12166 187.5
[M+HCOO]- 450.12260 218.7
[M+CH3COO]- 464.13825 209.6
[M+Na-2H]- 426.09907 201.9
[M]+ 405.12385 207.4
[M]- 405.12495 207.4
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.