CID 3009055

2(3h)-benzoxazolone, 3-[(4,5-dihydro-2-thiazolyl)methyl]-6-(3-fluorobenzoyl)-

Structural Information

Molecular Formula
C18H13FN2O3S
SMILES
C1CSC(=N1)CN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)F)OC2=O
InChI
InChI=1S/C18H13FN2O3S/c19-13-3-1-2-11(8-13)17(22)12-4-5-14-15(9-12)24-18(23)21(14)10-16-20-6-7-25-16/h1-5,8-9H,6-7,10H2
InChIKey
XBKOZUVMYLMHMC-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-6-(3-fluorobenzoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.06308 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07036 179.3
[M+Na]+ 379.05230 191.3
[M-H]- 355.05580 188.9
[M+NH4]+ 374.09690 193.7
[M+K]+ 395.02624 186.8
[M+H-H2O]+ 339.06034 171.5
[M+HCOO]- 401.06128 196.1
[M+CH3COO]- 415.07693 191.5
[M+Na-2H]- 377.03775 178.2
[M]+ 356.06253 185.0
[M]- 356.06363 185.0
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.