CID 463678

2-(1h-benzimidazol-2-yl)-n-[3-chloro-2-(4-chlorophenyl)-4-oxo-azetidin-1-yl]benzamide

Structural Information

Molecular Formula
C23H16Cl2N4O2
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)C(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H16Cl2N4O2/c24-14-11-9-13(10-12-14)20-19(25)23(31)29(20)28-22(30)16-6-2-1-5-15(16)21-26-17-7-3-4-8-18(17)27-21/h1-12,19-20H,(H,26,27)(H,28,30)
InChIKey
FOLUXQXOQUIEKY-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.06503 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.07231 198.1
[M+Na]+ 473.05425 207.6
[M-H]- 449.05775 205.6
[M+NH4]+ 468.09885 200.0
[M+K]+ 489.02819 201.3
[M+H-H2O]+ 433.06229 181.8
[M+HCOO]- 495.06323 206.3
[M+CH3COO]- 509.07888 206.0
[M+Na-2H]- 471.03970 198.0
[M]+ 450.06448 209.7
[M]- 450.06558 209.7
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.