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]+ 298.121996 167.3
[M+Na]+ 320.103938 173.1
[M-H]- 296.107444 170.8
[M+NH4]+ 315.148543 179.8
[M+K]+ 336.077878 169.5
[M+H-H2O]+ 280.111980 159.1
[M+HCOO]- 342.112921 179.5
[M+CH3COO]- 356.128571 200.2
[M+Na-2H]- 318.089386 169.2
[M]+ 297.11417142 165.9
[M]- 297.11526858 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.