CID 6445989

Oxazole, 4,5-dihydro-2-(2-(3,5-dimethoxyphenyl)-1-methylethenyl)-4,4-dimethyl-

Structural Information

Molecular Formula
C16H21NO3
SMILES
C/C(=C\C1=CC(=CC(=C1)OC)OC)/C2=NC(CO2)(C)C
InChI
InChI=1S/C16H21NO3/c1-11(15-17-16(2,3)10-20-15)6-12-7-13(18-4)9-14(8-12)19-5/h6-9H,10H2,1-5H3/b11-6+
InChIKey
FRQXIRMMBGXYSG-IZZDOVSWSA-N
Compound name
2-[(E)-1-(3,5-dimethoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 162.9
[M+Na]+ 298.141348 171.4
[M-H]- 274.144854 169.4
[M+NH4]+ 293.185953 180.7
[M+K]+ 314.115288 170.1
[M+H-H2O]+ 258.149390 156.2
[M+HCOO]- 320.150331 183.7
[M+CH3COO]- 334.165981 199.3
[M+Na-2H]- 296.126796 165.3
[M]+ 275.15158142 167.7
[M]- 275.15267858 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe