CID 118610

Dtxsid3067819

Structural Information

Molecular Formula
C23H17NO3
SMILES
COC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C23H17NO3/c1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22/h2-15H,1H3
InChIKey
PQENDJMQROQKKU-UHFFFAOYSA-N
Compound name
methyl 4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

355.12085 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12813 184.2
[M+Na]+ 378.11007 201.8
[M+NH4]+ 373.15467 192.3
[M+K]+ 394.08401 194.3
[M-H]- 354.11357 191.9
[M+Na-2H]- 376.09552 194.4
[M]+ 355.12030 189.1
[M]- 355.12140 189.1
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