CID 3076414

N,n-diethyl-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)acetamide hydrochloride

Structural Information

Molecular Formula
C14H16F3N3O2S
SMILES
CCC1=C2C(=CC(=C1)OC(F)(F)F)SC(=N)N2CC(=O)NCC
InChI
InChI=1S/C14H16F3N3O2S/c1-3-8-5-9(22-14(15,16)17)6-10-12(8)20(13(18)23-10)7-11(21)19-4-2/h5-6,18H,3-4,7H2,1-2H3,(H,19,21)
InChIKey
ZDIBKIIMJOIYSL-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09152 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09880 175.6
[M+Na]+ 370.08074 182.2
[M+NH4]+ 365.12534 179.4
[M+K]+ 386.05468 177.7
[M-H]- 346.08424 172.1
[M+Na-2H]- 368.06619 176.8
[M]+ 347.09097 175.5
[M]- 347.09207 175.5
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.