CID 3013295

Chembl242368

Structural Information

Molecular Formula
C22H17ClN2O2
SMILES
C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2O2/c23-17-8-6-16(7-9-17)12-21(26)24-18-10-11-20-19(14-18)25-22(27-20)13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,26)
InChIKey
VDGRFONKRUBYGB-UHFFFAOYSA-N
Compound name
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.09787 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10515 189.9
[M+Na]+ 399.08709 199.2
[M-H]- 375.09059 200.1
[M+NH4]+ 394.13169 202.2
[M+K]+ 415.06103 192.6
[M+H-H2O]+ 359.09513 180.4
[M+HCOO]- 421.09607 208.3
[M+CH3COO]- 435.11172 200.8
[M+Na-2H]- 397.07254 194.1
[M]+ 376.09732 195.4
[M]- 376.09842 195.4
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.