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]+ 294.112476 167.1
[M+Na]+ 316.094418 175.1
[M-H]- 292.097924 176.6
[M+NH4]+ 311.139023 181.1
[M+K]+ 332.068358 172.3
[M+H-H2O]+ 276.102460 158.2
[M+HCOO]- 338.103401 189.9
[M+CH3COO]- 352.119051 179.5
[M+Na-2H]- 314.079866 170.7
[M]+ 293.10465142 170.4
[M]- 293.10574858 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.