CID 108541

Einecs 262-674-4

Structural Information

Molecular Formula
C23H17NO3
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H17NO3/c1-15-2-13-21-20(14-15)24-22(27-21)18-9-5-16(6-10-18)3-4-17-7-11-19(12-8-17)23(25)26/h2-14H,1H3,(H,25,26)
InChIKey
FFTHGPXRVMFOIC-UHFFFAOYSA-N
Compound name
4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

355.12085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12813 185.4
[M+Na]+ 378.11007 195.0
[M-H]- 354.11357 195.1
[M+NH4]+ 373.15467 197.4
[M+K]+ 394.08401 189.1
[M+H-H2O]+ 338.11811 176.2
[M+HCOO]- 400.11905 206.0
[M+CH3COO]- 414.13470 196.6
[M+Na-2H]- 376.09552 188.1
[M]+ 355.12030 188.8
[M]- 355.12140 188.8
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