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 195.7
[M-H]- 353.12416 190.9
[M+NH4]+ 372.16526 196.8
[M+K]+ 393.09460 187.2
[M+H-H2O]+ 337.12870 175.0
[M+HCOO]- 399.12964 200.0
[M+CH3COO]- 413.14529 195.3
[M+Na-2H]- 375.10611 185.2
[M]+ 354.13089 185.9
[M]- 354.13199 185.9
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.