CID 933568

676581-20-7

Structural Information

Molecular Formula
C16H15FN4S
SMILES
CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)F
InChI
InChI=1S/C16H15FN4S/c1-11-5-7-13(8-6-11)15-19-20-16(21(15)18)22-10-12-3-2-4-14(17)9-12/h2-9H,10,18H2,1H3
InChIKey
XJSCXANLNVQPIL-UHFFFAOYSA-N
Compound name
3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10016 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10744 170.9
[M+Na]+ 337.08938 185.0
[M+NH4]+ 332.13398 178.4
[M+K]+ 353.06332 177.0
[M-H]- 313.09288 175.2
[M+Na-2H]- 335.07483 179.6
[M]+ 314.09961 174.6
[M]- 314.10071 174.6
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.