CID 3013307

Chembl242161

Structural Information

Molecular Formula
C22H16Cl2N2O2
SMILES
C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H16Cl2N2O2/c23-16-5-1-14(2-6-16)11-21(27)25-18-9-10-20-19(13-18)26-22(28-20)12-15-3-7-17(24)8-4-15/h1-10,13H,11-12H2,(H,25,27)
InChIKey
LPUQHZXCZUGZLQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

410.05887 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.06615 197.3
[M+Na]+ 433.04809 207.8
[M-H]- 409.05159 206.9
[M+NH4]+ 428.09269 209.0
[M+K]+ 449.02203 200.4
[M+H-H2O]+ 393.05613 188.2
[M+HCOO]- 455.05707 210.4
[M+CH3COO]- 469.07272 207.6
[M+Na-2H]- 431.03354 199.8
[M]+ 410.05832 204.7
[M]- 410.05942 204.7
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.