CID 6445989

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

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]+ 276.15941 162.9
[M+Na]+ 298.14135 171.4
[M-H]- 274.14485 169.4
[M+NH4]+ 293.18595 180.7
[M+K]+ 314.11529 170.1
[M+H-H2O]+ 258.14939 156.2
[M+HCOO]- 320.15033 183.7
[M+CH3COO]- 334.16598 199.3
[M+Na-2H]- 296.12680 165.3
[M]+ 275.15158 167.7
[M]- 275.15268 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