CID 2243841

107240-13-1

Structural Information

Molecular Formula
C16H17FN2OS2
SMILES
C1CCN(CC1)CN2C(=O)/C(=C\C3=CC=C(C=C3)F)/SC2=S
InChI
InChI=1S/C16H17FN2OS2/c17-13-6-4-12(5-7-13)10-14-15(20)19(16(21)22-14)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2/b14-10+
InChIKey
JPZQLPGNIPOVPS-GXDHUFHOSA-N
Compound name
(5E)-5-[(4-fluorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.07663 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08391 175.3
[M+Na]+ 359.06585 182.9
[M-H]- 335.06935 180.2
[M+NH4]+ 354.11045 189.0
[M+K]+ 375.03979 175.3
[M+H-H2O]+ 319.07389 167.0
[M+HCOO]- 381.07483 181.2
[M+CH3COO]- 395.09048 184.3
[M+Na-2H]- 357.05130 169.2
[M]+ 336.07608 170.9
[M]- 336.07718 170.9
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.