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]+ 284.16451 167.4
[M+Na]+ 306.14645 177.5
[M-H]- 282.14995 175.1
[M+NH4]+ 301.19105 184.5
[M+K]+ 322.12039 173.8
[M+H-H2O]+ 266.15449 160.3
[M+HCOO]- 328.15543 186.4
[M+CH3COO]- 342.17108 205.2
[M+Na-2H]- 304.13190 168.1
[M]+ 283.15668 170.2
[M]- 283.15778 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.