CID 6446134

2(3h)-benzoxazolone, 6-(1-oxo-3-phenyl-2-propenyl)-

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

1
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

patents stripe