CID 662834

578003-17-5

Structural Information

Molecular Formula
C17H18N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=NC=CN=C3
InChI
InChI=1S/C17H18N6O2S/c1-3-23-16(13-10-18-8-9-19-13)21-22-17(23)26-11-15(24)20-12-6-4-5-7-14(12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKey
VXTGXRASPZPUCN-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
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

literature stripe

Patent stripe

patents stripe