CID 1156935

482639-68-9

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CC=NC=C3
InChI
InChI=1S/C18H19N5OS/c1-3-23-17(14-8-10-19-11-9-14)21-22-18(23)25-12-16(24)20-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKey
ROPUAQJJVODBEE-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13104 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13832 182.3
[M+Na]+ 376.12026 196.0
[M+NH4]+ 371.16486 188.6
[M+K]+ 392.09420 188.6
[M-H]- 352.12376 186.5
[M+Na-2H]- 374.10571 190.8
[M]+ 353.13049 185.8
[M]- 353.13159 185.8
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.