CID 217027

Lt 133

Structural Information

Molecular Formula
C12H20N4O2S
SMILES
CCNS(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C
InChI
InChI=1S/C12H20N4O2S/c1-3-14-19(17,18)11-4-5-12(13-10-11)16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3
InChIKey
VKSFPOXEASNWNQ-UHFFFAOYSA-N
Compound name
N-ethyl-6-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1307 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13798 165.3
[M+Na]+ 307.11992 171.8
[M-H]- 283.12342 167.5
[M+NH4]+ 302.16452 177.1
[M+K]+ 323.09386 167.5
[M+H-H2O]+ 267.12796 156.4
[M+HCOO]- 329.12890 177.2
[M+CH3COO]- 343.14455 199.1
[M+Na-2H]- 305.10537 168.5
[M]+ 284.13015 164.1
[M]- 284.13125 164.1
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.