CID 91632876

Dtxsid201028730

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCC1=NC2=C(O1)CC(CC2=O)C3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C18H21NO2/c1-5-16-19-18-14(20)8-13(9-15(18)21-16)17-11(3)6-10(2)7-12(17)4/h6-7,13H,5,8-9H2,1-4H3
InChIKey
HOBOFKHMVFDENO-UHFFFAOYSA-N
Compound name
2-ethyl-6-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.4
[M+Na]+ 306.146448 177.5
[M-H]- 282.149954 175.1
[M+NH4]+ 301.191053 184.5
[M+K]+ 322.120388 173.8
[M+H-H2O]+ 266.154490 160.3
[M+HCOO]- 328.155431 186.4
[M+CH3COO]- 342.171081 205.2
[M+Na-2H]- 304.131896 168.1
[M]+ 283.15668142 170.2
[M]- 283.15777858 170.2
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.