CID 7063889

874754-24-2

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NNC(=S)NC3=O
InChI
InChI=1S/C11H9N3O3S/c15-10-9(13-14-11(18)12-10)6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5H,3-4H2,(H2,12,14,15,18)
InChIKey
AFMOZUZJZJEARA-UHFFFAOYSA-N
Compound name
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.03647 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.043746 154.8
[M+Na]+ 286.025688 165.3
[M-H]- 262.029194 157.6
[M+NH4]+ 281.070293 165.0
[M+K]+ 301.999628 160.8
[M+H-H2O]+ 246.033730 146.7
[M+HCOO]- 308.034671 164.7
[M+CH3COO]- 322.050321 165.6
[M+Na-2H]- 284.011136 160.6
[M]+ 263.03592142 154.1
[M]- 263.03701858 154.1
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.