CID 3042940

Lt 132

Structural Information

Molecular Formula
C13H22N4O2S
SMILES
CCCNS(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C
InChI
InChI=1S/C13H22N4O2S/c1-3-6-15-20(18,19)12-4-5-13(14-11-12)17-9-7-16(2)8-10-17/h4-5,11,15H,3,6-10H2,1-2H3
InChIKey
XCCOUESCZUNQJL-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15364 168.3
[M+Na]+ 321.13558 178.6
[M+NH4]+ 316.18018 174.2
[M+K]+ 337.10952 171.4
[M-H]- 297.13908 169.7
[M+Na-2H]- 319.12103 173.6
[M]+ 298.14581 170.4
[M]- 298.14691 170.4
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

No patent data available for this compound.