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]+ 266.059396 156.8
[M+Na]+ 288.041338 166.5
[M-H]- 264.044844 161.2
[M+NH4]+ 283.085943 170.6
[M+K]+ 304.015278 162.1
[M+H-H2O]+ 248.049380 148.6
[M+HCOO]- 310.050321 174.2
[M+CH3COO]- 324.065971 193.8
[M+Na-2H]- 286.026786 162.3
[M]+ 265.05157142 159.2
[M]- 265.05266858 159.2
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.