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]+ 272.037576 159.3
[M+Na]+ 294.019518 171.0
[M-H]- 270.023024 166.8
[M+NH4]+ 289.064123 177.9
[M+K]+ 309.993458 166.7
[M+H-H2O]+ 254.027560 154.2
[M+HCOO]- 316.028501 178.4
[M+CH3COO]- 330.044151 172.9
[M+Na-2H]- 292.004966 160.8
[M]+ 271.02975142 164.6
[M]- 271.03084858 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.