CID 9615747

299937-89-6

Structural Information

Molecular Formula
C16H12Cl2N4O
SMILES
C1=CC=C2C(=C1)N=CN2CC(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N4O/c17-12-6-5-11(13(18)7-12)8-20-21-16(23)9-22-10-19-14-3-1-2-4-15(14)22/h1-8,10H,9H2,(H,21,23)/b20-8+
InChIKey
XFTNSWZWHGUCIA-DNTJNYDQSA-N
Compound name
2-(benzimidazol-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.03882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04610 178.0
[M+Na]+ 369.02804 188.8
[M-H]- 345.03154 184.0
[M+NH4]+ 364.07264 192.8
[M+K]+ 385.00198 181.3
[M+H-H2O]+ 329.03608 169.1
[M+HCOO]- 391.03702 194.1
[M+CH3COO]- 405.05267 189.2
[M+Na-2H]- 367.01349 182.8
[M]+ 346.03827 184.0
[M]- 346.03937 184.0
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.