CID 200607

Sulfakin

Structural Information

Molecular Formula
C11H11N3O3S
SMILES
COC1=NN=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H11N3O3S/c1-17-10-6-7-11(14-13-10)18(15,16)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3
InChIKey
QNFUYWLAPCSQDS-UHFFFAOYSA-N
Compound name
4-(6-methoxypyridazin-3-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05212 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05940 156.2
[M+Na]+ 288.04134 169.2
[M+NH4]+ 283.08594 162.8
[M+K]+ 304.01528 162.2
[M-H]- 264.04484 158.5
[M+Na-2H]- 286.02679 164.1
[M]+ 265.05157 159.1
[M]- 265.05267 159.1
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.