CID 107591

4763-79-5

Structural Information

Molecular Formula
C22H15NO3
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H15NO3/c24-22(25)18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21-23-19-3-1-2-4-20(19)26-21/h1-14H,(H,24,25)
InChIKey
LKYXNMIEWBYPGZ-UHFFFAOYSA-N
Compound name
4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

341.1052 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11248 180.4
[M+Na]+ 364.09442 189.6
[M-H]- 340.09792 189.9
[M+NH4]+ 359.13902 192.7
[M+K]+ 380.06836 183.8
[M+H-H2O]+ 324.10246 171.2
[M+HCOO]- 386.10340 201.4
[M+CH3COO]- 400.11905 191.7
[M+Na-2H]- 362.07987 184.3
[M]+ 341.10465 183.0
[M]- 341.10575 183.0
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