CID 5268062

627840-82-8

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
C1COCCN1S(=O)(=O)C2=CN=C(C=C2)N
InChI
InChI=1S/C9H13N3O3S/c10-9-2-1-8(7-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKey
YFLUKCFVYCDJCM-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

243.06776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.075036 151.0
[M+Na]+ 266.056978 157.8
[M-H]- 242.060484 154.9
[M+NH4]+ 261.101583 163.9
[M+K]+ 282.030918 155.6
[M+H-H2O]+ 226.065020 143.0
[M+HCOO]- 288.065961 164.1
[M+CH3COO]- 302.081611 187.8
[M+Na-2H]- 264.042426 156.0
[M]+ 243.06721142 148.8
[M]- 243.06830858 148.8
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

patents stripe