CID 217034

Lt 97

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CN1CCN(CC1)C2=C(C=CC=N2)S(=O)(=O)N
InChI
InChI=1S/C10H16N4O2S/c1-13-5-7-14(8-6-13)10-9(17(11,15)16)3-2-4-12-10/h2-4H,5-8H2,1H3,(H2,11,15,16)
InChIKey
BDLWLJAHYWZIAK-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 155.6
[M+Na]+ 279.08862 166.2
[M+NH4]+ 274.13322 161.8
[M+K]+ 295.06256 159.9
[M-H]- 255.09212 156.9
[M+Na-2H]- 277.07407 161.1
[M]+ 256.09885 157.6
[M]- 256.09995 157.6
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