CID 1128796

4-chloro-n-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide

Structural Information

Molecular Formula
C22H17ClN2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2O2/c1-2-14-3-5-16(6-4-14)22-25-19-13-18(11-12-20(19)27-22)24-21(26)15-7-9-17(23)10-8-15/h3-13H,2H2,1H3,(H,24,26)
InChIKey
PSANVAJEVASZQB-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.09787 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10515 190.6
[M+Na]+ 399.08709 200.9
[M-H]- 375.09059 201.3
[M+NH4]+ 394.13169 203.2
[M+K]+ 415.06103 194.4
[M+H-H2O]+ 359.09513 181.3
[M+HCOO]- 421.09607 209.0
[M+CH3COO]- 435.11172 201.9
[M+Na-2H]- 397.07254 194.1
[M]+ 376.09732 196.6
[M]- 376.09842 196.6
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.