CID 10981563

Chembl471943

Structural Information

Molecular Formula
C23H20N2O3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C23H20N2O3/c1-2-16-8-10-18(11-9-16)22-25-20-14-19(12-13-21(20)28-22)24-23(26)27-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H,24,26)
InChIKey
WCNLRLOYNSMGAP-UHFFFAOYSA-N
Compound name
benzyl N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.1474 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 189.5
[M+Na]+ 395.13662 197.4
[M-H]- 371.14012 200.0
[M+NH4]+ 390.18122 201.0
[M+K]+ 411.11056 192.9
[M+H-H2O]+ 355.14466 179.4
[M+HCOO]- 417.14560 212.4
[M+CH3COO]- 431.16125 200.3
[M+Na-2H]- 393.12207 194.0
[M]+ 372.14685 194.1
[M]- 372.14795 194.1
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.