CID 3076378

2-imino-6-(trifluoromethoxy)-3(2h)-benzothiazolepropanamide

Structural Information

Molecular Formula
C11H10F3N3O2S
SMILES
C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCC(=O)N
InChI
InChI=1S/C11H10F3N3O2S/c12-11(13,14)19-6-1-2-7-8(5-6)20-10(16)17(7)4-3-9(15)18/h1-2,5,16H,3-4H2,(H2,15,18)
InChIKey
RXDCPSOYHTYLSH-UHFFFAOYSA-N
Compound name
3-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.0446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05188 160.2
[M+Na]+ 328.03382 170.8
[M-H]- 304.03732 160.1
[M+NH4]+ 323.07842 176.8
[M+K]+ 344.00776 165.7
[M+H-H2O]+ 288.04186 151.5
[M+HCOO]- 350.04280 176.0
[M+CH3COO]- 364.05845 204.8
[M+Na-2H]- 326.01927 162.4
[M]+ 305.04405 160.4
[M]- 305.04515 160.4
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

patents stripe