CID 3061217

Brn 4503106

Structural Information

Molecular Formula
C18H15NO3
SMILES
COC(=O)CC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-21-18(20)11-13-7-9-14(10-8-13)16-12-17(22-19-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKey
WOZOFWSYISHGQZ-UHFFFAOYSA-N
Compound name
methyl 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 167.1
[M+Na]+ 316.09442 175.1
[M-H]- 292.09792 176.6
[M+NH4]+ 311.13902 181.1
[M+K]+ 332.06836 172.3
[M+H-H2O]+ 276.10246 158.2
[M+HCOO]- 338.10340 189.9
[M+CH3COO]- 352.11905 179.5
[M+Na-2H]- 314.07987 170.7
[M]+ 293.10465 170.4
[M]- 293.10575 170.4
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

No patent data available for this compound.