CID 3003113

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

Structural Information

Molecular Formula
C14H12N6O2S
SMILES
C1=CC=C(C=C1)OCC(=O)NN2C(=NNC2=S)C3=NC=CN=C3
InChI
InChI=1S/C14H12N6O2S/c21-12(9-22-10-4-2-1-3-5-10)19-20-13(17-18-14(20)23)11-8-15-6-7-16-11/h1-8H,9H2,(H,18,23)(H,19,21)
InChIKey
ZOQIATLWYOKWEV-UHFFFAOYSA-N
Compound name
2-phenoxy-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

328.07425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08153 171.6
[M+Na]+ 351.06347 181.0
[M-H]- 327.06697 174.7
[M+NH4]+ 346.10807 179.9
[M+K]+ 367.03741 174.0
[M+H-H2O]+ 311.07151 161.5
[M+HCOO]- 373.07245 186.1
[M+CH3COO]- 387.08810 181.1
[M+Na-2H]- 349.04892 174.5
[M]+ 328.07370 172.7
[M]- 328.07480 172.7
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.