CID 6446134

Jpb 51

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C16H11NO3/c18-14(9-6-11-4-2-1-3-5-11)12-7-8-13-15(10-12)20-16(19)17-13/h1-10H,(H,17,19)/b9-6+
InChIKey
GMTCPBAANXMHHT-RMKNXTFCSA-N
Compound name
6-[(E)-3-phenylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.07388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 157.3
[M+Na]+ 288.06310 167.4
[M-H]- 264.06660 163.9
[M+NH4]+ 283.10770 173.2
[M+K]+ 304.03704 162.7
[M+H-H2O]+ 248.07114 150.0
[M+HCOO]- 310.07208 179.5
[M+CH3COO]- 324.08773 170.2
[M+Na-2H]- 286.04855 163.2
[M]+ 265.07333 159.6
[M]- 265.07443 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.