CID 6445994

P-1643

Structural Information

Molecular Formula
C15H19NO2
SMILES
C/C(=C\C1=CC(=CC=C1)OC)/C2=NC(CO2)(C)C
InChI
InChI=1S/C15H19NO2/c1-11(14-16-15(2,3)10-18-14)8-12-6-5-7-13(9-12)17-4/h5-9H,10H2,1-4H3/b11-8+
InChIKey
BJCURCMNZWUNFF-DHZHZOJOSA-N
Compound name
2-[(E)-1-(3-methoxyphenyl)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

245.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 156.0
[M+Na]+ 268.13081 164.1
[M-H]- 244.13431 162.4
[M+NH4]+ 263.17541 174.8
[M+K]+ 284.10475 162.5
[M+H-H2O]+ 228.13885 149.4
[M+HCOO]- 290.13979 177.0
[M+CH3COO]- 304.15544 193.1
[M+Na-2H]- 266.11626 159.5
[M]+ 245.14104 158.6
[M]- 245.14214 158.6
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