CID 3009051

6-benzoyl-3-(4,5-dihydrothiazol-2-ylmethyl)-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C18H14N2O3S
SMILES
C1CSC(=N1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C18H14N2O3S/c21-17(12-4-2-1-3-5-12)13-6-7-14-15(10-13)23-18(22)20(14)11-16-19-8-9-24-16/h1-7,10H,8-9,11H2
InChIKey
INONPIMSQMBYNE-UHFFFAOYSA-N
Compound name
6-benzoyl-3-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07978 176.6
[M+Na]+ 361.06172 187.8
[M-H]- 337.06522 187.1
[M+NH4]+ 356.10632 191.5
[M+K]+ 377.03566 183.8
[M+H-H2O]+ 321.06976 169.5
[M+HCOO]- 383.07070 194.4
[M+CH3COO]- 397.08635 189.1
[M+Na-2H]- 359.04717 176.7
[M]+ 338.07195 182.7
[M]- 338.07305 182.7
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.