CID 6881502

675131-24-5

Structural Information

Molecular Formula
C19H19FN4S
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H19FN4S/c1-19(2,3)15-8-4-13(5-9-15)12-21-24-17(22-23-18(24)25)14-6-10-16(20)11-7-14/h4-12H,1-3H3,(H,23,25)/b21-12+
InChIKey
HYFOWIPAZVKZGX-CIAFOILYSA-N
Compound name
4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13144 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13872 185.2
[M+Na]+ 377.12066 198.7
[M+NH4]+ 372.16526 191.6
[M+K]+ 393.09460 190.7
[M-H]- 353.12416 188.5
[M+Na-2H]- 375.10611 193.3
[M]+ 354.13089 188.5
[M]- 354.13199 188.5
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.