CID 6446140

2(3h)-benzoxazolone, 6-(1-oxo-5-phenyl-2,4-pentadienyl)-

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C18H13NO3/c20-16(9-5-4-8-13-6-2-1-3-7-13)14-10-11-15-17(12-14)22-18(21)19-15/h1-12H,(H,19,21)/b8-4+,9-5+
InChIKey
XKJBWDLOEJBRTK-KBXRYBNXSA-N
Compound name
6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.096816 166.1
[M+Na]+ 314.078758 175.6
[M-H]- 290.082264 172.2
[M+NH4]+ 309.123363 180.8
[M+K]+ 330.052698 169.8
[M+H-H2O]+ 274.086800 158.3
[M+HCOO]- 336.087741 187.7
[M+CH3COO]- 350.103391 178.1
[M+Na-2H]- 312.064206 170.8
[M]+ 291.08899142 168.2
[M]- 291.09008858 168.2
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

No patent data available for this compound.