CID 3274747

851169-39-6

Structural Information

Molecular Formula
C15H26N4O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)N
InChI
InChI=1S/C15H26N4O2S/c1-4-19(5-2)22(20,21)13-6-7-15(14(16)12-13)18-10-8-17(3)9-11-18/h6-7,12H,4-5,8-11,16H2,1-3H3
InChIKey
FRIAPOXGQKDNEU-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.17764 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18492 176.8
[M+Na]+ 349.16686 181.9
[M-H]- 325.17036 181.0
[M+NH4]+ 344.21146 188.5
[M+K]+ 365.14080 178.3
[M+H-H2O]+ 309.17490 167.9
[M+HCOO]- 371.17584 189.8
[M+CH3COO]- 385.19149 214.3
[M+Na-2H]- 347.15231 177.1
[M]+ 326.17709 176.1
[M]- 326.17819 176.1
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.