CID 1287711

476633-99-5

Structural Information

Molecular Formula
C20H13Cl2N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H13Cl2N3O/c21-13-7-10-15(16(22)11-13)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKey
XZWQJHIFPCMYHO-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.04358 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.05086 186.3
[M+Na]+ 404.03280 197.2
[M-H]- 380.03630 192.9
[M+NH4]+ 399.07740 198.4
[M+K]+ 420.00674 187.6
[M+H-H2O]+ 364.04084 177.0
[M+HCOO]- 426.04178 198.2
[M+CH3COO]- 440.05743 196.3
[M+Na-2H]- 402.01825 189.4
[M]+ 381.04303 189.8
[M]- 381.04413 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.