CID 24253240

1017171-54-8

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)N
InChI
InChI=1S/C10H16N4O2S/c1-17(15,16)14-6-4-13(5-7-14)10-3-2-9(11)8-12-10/h2-3,8H,4-7,11H2,1H3
InChIKey
GNTLRGFRRDFLRJ-UHFFFAOYSA-N
Compound name
6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.0994 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 157.3
[M+Na]+ 279.08862 164.7
[M-H]- 255.09212 159.3
[M+NH4]+ 274.13322 170.0
[M+K]+ 295.06256 160.5
[M+H-H2O]+ 239.09666 148.9
[M+HCOO]- 301.09760 169.3
[M+CH3COO]- 315.11325 192.6
[M+Na-2H]- 277.07407 160.4
[M]+ 256.09885 154.4
[M]- 256.09995 154.4
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