CID 3061221

Brn 4520931

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C19H17NO3/c1-13(19(21)22-2)14-8-10-15(11-9-14)17-12-18(23-20-17)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKey
QJKWELJWIPSDFD-UHFFFAOYSA-N
Compound name
methyl 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.9
[M+Na]+ 330.11007 179.0
[M-H]- 306.11357 181.3
[M+NH4]+ 325.15467 185.2
[M+K]+ 346.08401 176.5
[M+H-H2O]+ 290.11811 162.9
[M+HCOO]- 352.11905 193.3
[M+CH3COO]- 366.13470 204.1
[M+Na-2H]- 328.09552 173.8
[M]+ 307.12030 174.9
[M]- 307.12140 174.9
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.