CID 1891243

618427-20-6

Structural Information

Molecular Formula
C17H18N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=NC=CN=C3
InChI
InChI=1S/C17H18N6O2S/c1-3-23-16(14-10-18-8-9-19-14)21-22-17(23)26-11-15(24)20-12-4-6-13(25-2)7-5-12/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKey
WCKXTCABSBQOPD-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1212 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12848 184.5
[M+Na]+ 393.11042 197.7
[M+NH4]+ 388.15502 189.5
[M+K]+ 409.08436 191.4
[M-H]- 369.11392 187.5
[M+Na-2H]- 391.09587 192.4
[M]+ 370.12065 187.4
[M]- 370.12175 187.4
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.