CID 1250804

N-phenyl-2-((3-(trifluoromethyl)phenyl)acetyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C16H14F3N3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C16H14F3N3OS/c17-16(18,19)12-6-4-5-11(9-12)10-14(23)21-22-15(24)20-13-7-2-1-3-8-13/h1-9H,10H2,(H,21,23)(H2,20,22,24)
InChIKey
SBTHNXKGBQHENE-UHFFFAOYSA-N
Compound name
1-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.088236 176.1
[M+Na]+ 376.070178 181.0
[M-H]- 352.073684 178.2
[M+NH4]+ 371.114783 188.1
[M+K]+ 392.044118 174.9
[M+H-H2O]+ 336.078220 165.1
[M+HCOO]- 398.079161 191.3
[M+CH3COO]- 412.094811 215.0
[M+Na-2H]- 374.055626 178.1
[M]+ 353.08041142 170.9
[M]- 353.08150858 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.