CID 2020064

7-sulfanyl-2-(thiophen-2-yl)-4h,5h-pyrazolo[1,5-d][1,2,4]triazin-4-one

Structural Information

Molecular Formula
C9H6N4OS2
SMILES
C1=CSC(=C1)C2=NN3C(=C2)C(=O)NNC3=S
InChI
InChI=1S/C9H6N4OS2/c14-8-6-4-5(7-2-1-3-16-7)12-13(6)9(15)11-10-8/h1-4H,(H,10,14)(H,11,15)
InChIKey
BGGMYZIFIPZSHS-UHFFFAOYSA-N
Compound name
7-sulfanylidene-2-thiophen-2-yl-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9983 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00558 149.1
[M+Na]+ 272.98752 164.6
[M-H]- 248.99102 151.6
[M+NH4]+ 268.03212 166.4
[M+K]+ 288.96146 157.2
[M+H-H2O]+ 232.99556 144.3
[M+HCOO]- 294.99650 160.8
[M+CH3COO]- 309.01215 162.0
[M+Na-2H]- 270.97297 149.6
[M]+ 249.99775 152.2
[M]- 249.99885 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.