CID 3001120

149487-86-5

Structural Information

Molecular Formula
C14H15F2N3S2
SMILES
CCC1=CSC(=N1)NC(=S)NCCC2=C(C=CC=C2F)F
InChI
InChI=1S/C14H15F2N3S2/c1-2-9-8-21-14(18-9)19-13(20)17-7-6-10-11(15)4-3-5-12(10)16/h3-5,8H,2,6-7H2,1H3,(H2,17,18,19,20)
InChIKey
JOHAYHVXYQNTLV-UHFFFAOYSA-N
Compound name
1-[2-(2,6-difluorophenyl)ethyl]-3-(4-ethyl-1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

327.06754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07482 167.2
[M+Na]+ 350.05676 175.6
[M-H]- 326.06026 170.0
[M+NH4]+ 345.10136 182.4
[M+K]+ 366.03070 168.2
[M+H-H2O]+ 310.06480 158.0
[M+HCOO]- 372.06574 179.3
[M+CH3COO]- 386.08139 209.8
[M+Na-2H]- 348.04221 165.1
[M]+ 327.06699 167.2
[M]- 327.06809 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.