CID 5387511

Nsc624413

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CC(=O)N/C(=C\C1=CC(=CC=C1)OC)/C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN3O2/c1-11(23)20-17(9-12-4-3-5-14(8-12)24-2)18-21-15-7-6-13(19)10-16(15)22-18/h3-10H,1-2H3,(H,20,23)(H,21,22)/b17-9-
InChIKey
FMGOXFCQTAUAHH-MFOYZWKCSA-N
Compound name
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0931 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.100376 178.9
[M+Na]+ 364.082318 188.0
[M-H]- 340.085824 183.1
[M+NH4]+ 359.126923 192.4
[M+K]+ 380.056258 180.8
[M+H-H2O]+ 324.090360 170.5
[M+HCOO]- 386.091301 194.9
[M+CH3COO]- 400.106951 189.3
[M+Na-2H]- 362.067766 181.3
[M]+ 341.09255142 182.3
[M]- 341.09364858 182.3
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.