CID 2018942

618427-31-9

Structural Information

Molecular Formula
C17H17FN6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)C3=NC=CN=C3
InChI
InChI=1S/C17H17FN6OS/c1-3-24-16(14-9-19-6-7-20-14)22-23-17(24)26-10-15(25)21-12-5-4-11(2)13(18)8-12/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKey
XQERHFTVOPLUKT-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.11685 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12413 185.4
[M+Na]+ 395.10607 195.5
[M-H]- 371.10957 188.6
[M+NH4]+ 390.15067 193.2
[M+K]+ 411.08001 188.0
[M+H-H2O]+ 355.11411 173.8
[M+HCOO]- 417.11505 198.8
[M+CH3COO]- 431.13070 194.4
[M+Na-2H]- 393.09152 184.8
[M]+ 372.11630 188.4
[M]- 372.11740 188.4
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.