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

6
Patents

297.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.107376 166.5
[M+Na]+ 320.089318 175.8
[M-H]- 296.092824 173.2
[M+NH4]+ 315.133923 181.2
[M+K]+ 336.063258 173.4
[M+H-H2O]+ 280.097360 158.9
[M+HCOO]- 342.098301 187.1
[M+CH3COO]- 356.113951 201.3
[M+Na-2H]- 318.074766 170.1
[M]+ 297.09955142 171.8
[M]- 297.10064858 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