CID 4961606

3-amino-n,n-diethyl-4-(4-ethylpiperazin-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C16H28N4O2S
SMILES
CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N
InChI
InChI=1S/C16H28N4O2S/c1-4-18-9-11-19(12-10-18)16-8-7-14(13-15(16)17)23(21,22)20(5-2)6-3/h7-8,13H,4-6,9-12,17H2,1-3H3
InChIKey
KIMXPFIREPMHFU-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-(4-ethylpiperazin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20058 181.0
[M+Na]+ 363.18252 185.6
[M-H]- 339.18602 185.0
[M+NH4]+ 358.22712 192.1
[M+K]+ 379.15646 181.8
[M+H-H2O]+ 323.19056 171.9
[M+HCOO]- 385.19150 193.7
[M+CH3COO]- 399.20715 217.3
[M+Na-2H]- 361.16797 180.8
[M]+ 340.19275 180.7
[M]- 340.19385 180.7
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

No patent data available for this compound.