CID 6446141

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

Structural Information

Molecular Formula
C14H9NO3S
SMILES
C1=CSC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C14H9NO3S/c16-12(6-4-10-2-1-7-19-10)9-3-5-11-13(8-9)18-14(17)15-11/h1-8H,(H,15,17)/b6-4+
InChIKey
ARZFJRAMUQCWQY-GQCTYLIASA-N
Compound name
6-[(E)-3-thiophen-2-ylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0303 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.03758 159.3
[M+Na]+ 294.01952 171.0
[M-H]- 270.02302 166.8
[M+NH4]+ 289.06412 177.9
[M+K]+ 309.99346 166.7
[M+H-H2O]+ 254.02756 154.2
[M+HCOO]- 316.02850 178.4
[M+CH3COO]- 330.04415 172.9
[M+Na-2H]- 292.00497 160.8
[M]+ 271.02975 164.6
[M]- 271.03085 164.6
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.