CID 2517637

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C14H10F3N3OS2
SMILES
CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=CS2)CN=C=S
InChI
InChI=1S/C14H10F3N3OS2/c1-9(21)20(13-19-11(7-23-13)6-18-8-22)12-4-2-3-10(5-12)14(15,16)17/h2-5,7H,6H2,1H3
InChIKey
VCJRYZDMXZVGOE-UHFFFAOYSA-N
Compound name
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.02173 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02901 177.2
[M+Na]+ 380.01095 183.7
[M+NH4]+ 375.05555 181.9
[M+K]+ 395.98489 177.0
[M-H]- 356.01445 176.0
[M+Na-2H]- 377.99640 180.8
[M]+ 357.02118 178.2
[M]- 357.02228 178.2
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.