CID 3003116

2-(4-methylphenoxy)-n-(3-pyrazin-2-yl-5-sulfanyl-1,2,4-triazol-4-yl)acetamide

Structural Information

Molecular Formula
C15H14N6O2S
SMILES
CC1=CC=C(C=C1)OCC(=O)NN2C(=NNC2=S)C3=NC=CN=C3
InChI
InChI=1S/C15H14N6O2S/c1-10-2-4-11(5-3-10)23-9-13(22)20-21-14(18-19-15(21)24)12-8-16-6-7-17-12/h2-8H,9H2,1H3,(H,19,24)(H,20,22)
InChIKey
IXFXBPNOYUKDHG-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.0899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09718 177.0
[M+Na]+ 365.07912 186.7
[M-H]- 341.08262 180.3
[M+NH4]+ 360.12372 185.0
[M+K]+ 381.05306 179.4
[M+H-H2O]+ 325.08716 166.9
[M+HCOO]- 387.08810 191.0
[M+CH3COO]- 401.10375 186.3
[M+Na-2H]- 363.06457 178.5
[M]+ 342.08935 178.8
[M]- 342.09045 178.8
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

No patent data available for this compound.