CID 3819038

338410-87-0

Structural Information

Molecular Formula
C16H13Cl2N3O
SMILES
CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKey
GLOWGQDIXUPDIH-UHFFFAOYSA-N
Compound name
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.04358 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05086 173.4
[M+Na]+ 356.03280 188.8
[M+NH4]+ 351.07740 181.4
[M+K]+ 372.00674 182.2
[M-H]- 332.03630 176.8
[M+Na-2H]- 354.01825 181.1
[M]+ 333.04303 177.1
[M]- 333.04413 177.1
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.