CID 5272809

2-[4-(4,5-dihydrooxazol-2-yl)phenyl]-3-methoxy-chromen-4-one

Structural Information

Molecular Formula
C19H15NO4
SMILES
COC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C4=NCCO4
InChI
InChI=1S/C19H15NO4/c1-22-18-16(21)14-4-2-3-5-15(14)24-17(18)12-6-8-13(9-7-12)19-20-10-11-23-19/h2-9H,10-11H2,1H3
InChIKey
UNVWFWWAACOEQK-UHFFFAOYSA-N
Compound name
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 172.4
[M+Na]+ 344.08932 182.3
[M-H]- 320.09282 183.9
[M+NH4]+ 339.13392 185.2
[M+K]+ 360.06326 180.1
[M+H-H2O]+ 304.09736 163.5
[M+HCOO]- 366.09830 193.1
[M+CH3COO]- 380.11395 185.0
[M+Na-2H]- 342.07477 177.4
[M]+ 321.09955 176.8
[M]- 321.10065 176.8
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.