CID 69543569

4-(4-methylpiperazino)benzenesulfonamide

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)10-2-4-11(5-3-10)17(12,15)16/h2-5H,6-9H2,1H3,(H2,12,15,16)
InChIKey
RWSZJGODBWDBGN-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.10414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11142 156.7
[M+Na]+ 278.09336 163.6
[M-H]- 254.09686 160.0
[M+NH4]+ 273.13796 170.9
[M+K]+ 294.06730 159.5
[M+H-H2O]+ 238.10140 148.9
[M+HCOO]- 300.10234 169.7
[M+CH3COO]- 314.11799 192.7
[M+Na-2H]- 276.07881 159.4
[M]+ 255.10359 153.7
[M]- 255.10469 153.7
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