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]+ 342.10038 178.9
[M+Na]+ 364.08232 188.0
[M-H]- 340.08582 183.1
[M+NH4]+ 359.12692 192.4
[M+K]+ 380.05626 180.8
[M+H-H2O]+ 324.09036 170.5
[M+HCOO]- 386.09130 194.9
[M+CH3COO]- 400.10695 189.3
[M+Na-2H]- 362.06777 181.3
[M]+ 341.09255 182.3
[M]- 341.09365 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.