CID 3042889

Brn 0556337

Structural Information

Molecular Formula
C17H15NO4
SMILES
CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)OC)C(=O)O
InChI
InChI=1S/C17H15NO4/c1-10(17(19)20)12-5-8-15-14(9-12)18-16(22-15)11-3-6-13(21-2)7-4-11/h3-10H,1-2H3,(H,19,20)
InChIKey
YNOGHZOSBMLFTR-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 166.5
[M+Na]+ 320.08932 175.8
[M-H]- 296.09282 173.2
[M+NH4]+ 315.13392 181.2
[M+K]+ 336.06326 173.4
[M+H-H2O]+ 280.09736 158.9
[M+HCOO]- 342.09830 187.1
[M+CH3COO]- 356.11395 201.3
[M+Na-2H]- 318.07477 170.1
[M]+ 297.09955 171.8
[M]- 297.10065 171.8
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

patents stripe