CID 46379

Brn 1083953

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C(=O)O
InChI
InChI=1S/C17H15NO3/c1-10-3-5-12(6-4-10)16-18-14-9-13(11(2)17(19)20)7-8-15(14)21-16/h3-9,11H,1-2H3,(H,19,20)
InChIKey
GZHTYRWTDHLNPC-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.1052 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 162.9
[M+Na]+ 304.09442 177.8
[M+NH4]+ 299.13902 170.7
[M+K]+ 320.06836 173.6
[M-H]- 280.09792 167.5
[M+Na-2H]- 302.07987 169.9
[M]+ 281.10465 166.4
[M]- 281.10575 166.4
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

patents stripe