CID 252418

Nsc74346

Structural Information

Molecular Formula
C24H36N2O4S
SMILES
CCN(CC)CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCCN(CC)CC
InChI
InChI=1S/C24H36N2O4S/c1-5-25(6-2)17-19-29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-18-26(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3
InChIKey
UNAPDFDZWFWYCH-UHFFFAOYSA-N
Compound name
2-[4-[4-[2-(diethylamino)ethoxy]phenyl]sulfonylphenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2396 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.24688 211.4
[M+Na]+ 471.22882 214.0
[M-H]- 447.23232 219.2
[M+NH4]+ 466.27342 221.1
[M+K]+ 487.20276 211.3
[M+H-H2O]+ 431.23686 200.9
[M+HCOO]- 493.23780 229.6
[M+CH3COO]- 507.25345 241.1
[M+Na-2H]- 469.21427 211.2
[M]+ 448.23905 221.4
[M]- 448.24015 221.4
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.