CID 360721

Nsc623057

Structural Information

Molecular Formula
C17H11F3N2O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H11F3N2O2S/c18-17(19,20)10-4-3-5-11(8-10)21-16(24)13(23)9-15-22-12-6-1-2-7-14(12)25-15/h1-8H,9H2,(H,21,24)
InChIKey
GQAUMDQDRZXYCL-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.04935 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05663 178.9
[M+Na]+ 387.03857 188.2
[M-H]- 363.04207 182.1
[M+NH4]+ 382.08317 193.0
[M+K]+ 403.01251 182.2
[M+H-H2O]+ 347.04661 169.0
[M+HCOO]- 409.04755 193.1
[M+CH3COO]- 423.06320 212.9
[M+Na-2H]- 385.02402 180.6
[M]+ 364.04880 179.7
[M]- 364.04990 179.7
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.