CID 3013297

Chembl242575

Structural Information

Molecular Formula
C21H15ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O2/c22-16-8-6-14(7-9-16)12-20-24-18-13-17(10-11-19(18)26-20)23-21(25)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,25)
InChIKey
XSEUONHVPRMSIE-UHFFFAOYSA-N
Compound name
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.0822 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08948 185.3
[M+Na]+ 385.07142 195.1
[M-H]- 361.07492 195.7
[M+NH4]+ 380.11602 198.1
[M+K]+ 401.04536 188.7
[M+H-H2O]+ 345.07946 176.0
[M+HCOO]- 407.08040 204.0
[M+CH3COO]- 421.09605 196.6
[M+Na-2H]- 383.05687 190.0
[M]+ 362.08165 190.5
[M]- 362.08275 190.5
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.