CID 306774

4-methyl-n-((4-methyl-1-piperazinyl)carbonyl)benzenesulfonamide

Structural Information

Molecular Formula
C13H19N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C
InChI
InChI=1S/C13H19N3O3S/c1-11-3-5-12(6-4-11)20(18,19)14-13(17)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKey
KKKBXXYDLBVALE-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11472 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12200 167.3
[M+Na]+ 320.10394 173.1
[M-H]- 296.10744 170.8
[M+NH4]+ 315.14854 179.8
[M+K]+ 336.07788 169.5
[M+H-H2O]+ 280.11198 159.1
[M+HCOO]- 342.11292 179.6
[M+CH3COO]- 356.12857 200.2
[M+Na-2H]- 318.08939 169.2
[M]+ 297.11417 165.9
[M]- 297.11527 165.9
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.