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]+ 334.050856 173.1
[M+Na]+ 356.032798 183.3
[M-H]- 332.036304 176.7
[M+NH4]+ 351.077403 187.5
[M+K]+ 372.006738 175.3
[M+H-H2O]+ 316.040840 165.5
[M+HCOO]- 378.041781 184.2
[M+CH3COO]- 392.057431 183.6
[M+Na-2H]- 354.018246 175.7
[M]+ 333.04303142 176.5
[M]- 333.04412858 176.5
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.