CID 3003119

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

Structural Information

Molecular Formula
C15H14N6O3S
SMILES
COC1=CC=C(C=C1)OCC(=O)NN2C(=NNC2=S)C3=NC=CN=C3
InChI
InChI=1S/C15H14N6O3S/c1-23-10-2-4-11(5-3-10)24-9-13(22)20-21-14(18-19-15(21)25)12-8-16-6-7-17-12/h2-8H,9H2,1H3,(H,19,25)(H,20,22)
InChIKey
YBBZNGNQPQOLRU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-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

358.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09208 179.3
[M+Na]+ 381.07402 188.7
[M-H]- 357.07752 182.6
[M+NH4]+ 376.11862 186.5
[M+K]+ 397.04796 182.1
[M+H-H2O]+ 341.08206 169.1
[M+HCOO]- 403.08300 193.6
[M+CH3COO]- 417.09865 188.4
[M+Na-2H]- 379.05947 181.1
[M]+ 358.08425 182.4
[M]- 358.08535 182.4
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

No patent data available for this compound.