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]+ 264.04375 154.8
[M+Na]+ 286.02569 165.3
[M-H]- 262.02919 157.6
[M+NH4]+ 281.07029 165.0
[M+K]+ 301.99963 160.8
[M+H-H2O]+ 246.03373 146.7
[M+HCOO]- 308.03467 164.7
[M+CH3COO]- 322.05032 165.6
[M+Na-2H]- 284.01114 160.6
[M]+ 263.03592 154.1
[M]- 263.03702 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.