CID 3013308

Chembl242371

Structural Information

Molecular Formula
C23H19ClN2O2
SMILES
CC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19ClN2O2/c1-15-2-4-16(5-3-15)12-22(27)25-19-10-11-21-20(14-19)26-23(28-21)13-17-6-8-18(24)9-7-17/h2-11,14H,12-13H2,1H3,(H,25,27)
InChIKey
OVMSMIXVPQHKKA-UHFFFAOYSA-N
Compound name
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.1135 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12078 195.3
[M+Na]+ 413.10272 205.0
[M-H]- 389.10622 205.7
[M+NH4]+ 408.14732 207.3
[M+K]+ 429.07666 198.3
[M+H-H2O]+ 373.11076 185.7
[M+HCOO]- 435.11170 213.3
[M+CH3COO]- 449.12735 206.0
[M+Na-2H]- 411.08817 198.2
[M]+ 390.11295 201.5
[M]- 390.11405 201.5
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.