CID 91716

Mefenacet

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
InChIKey
XIGAUIHYSDTJHW-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

36
References

30432
Patents

298.0776 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.084876 167.0
[M+Na]+ 321.066818 175.7
[M-H]- 297.070324 175.4
[M+NH4]+ 316.111423 184.5
[M+K]+ 337.040758 172.2
[M+H-H2O]+ 281.074860 159.0
[M+HCOO]- 343.075801 187.6
[M+CH3COO]- 357.091451 179.6
[M+Na-2H]- 319.052266 170.8
[M]+ 298.07705142 173.2
[M]- 298.07814858 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe