CID 6889776

586997-19-5

Structural Information

Molecular Formula
C18H17FN4S
SMILES
CC(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FN4S/c1-12(2)14-5-3-13(4-6-14)11-20-23-17(21-22-18(23)24)15-7-9-16(19)10-8-15/h3-12H,1-2H3,(H,22,24)/b20-11+
InChIKey
BDRUICIBOXWDDN-RGVLZGJSSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11578 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12306 179.1
[M+Na]+ 363.10500 192.7
[M+NH4]+ 358.14960 185.7
[M+K]+ 379.07894 184.6
[M-H]- 339.10850 182.8
[M+Na-2H]- 361.09045 187.2
[M]+ 340.11523 182.4
[M]- 340.11633 182.4
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

No patent data available for this compound.