CID 663006

575463-03-5

Structural Information

Molecular Formula
C16H16N6O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3
InChI
InChI=1S/C16H16N6O2S/c1-24-12-7-5-11(6-8-12)19-14(23)10-25-16-21-20-15(22(16)17)13-4-2-3-9-18-13/h2-9H,10,17H2,1H3,(H,19,23)
InChIKey
RRQOFQSYFGVBKU-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

356.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11281 179.5
[M+Na]+ 379.09475 191.5
[M+NH4]+ 374.13935 184.9
[M+K]+ 395.06869 185.9
[M-H]- 355.09825 183.4
[M+Na-2H]- 377.08020 187.5
[M]+ 356.10498 182.4
[M]- 356.10608 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.