CID 115482

Bis(4-(alpha-diethylaminopropoxy)phenyl) sulfone

Structural Information

Molecular Formula
C26H40N2O4S
SMILES
CCC(N(CC)CC)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC(CC)N(CC)CC
InChI
InChI=1S/C26H40N2O4S/c1-7-25(27(9-3)10-4)31-21-13-17-23(18-14-21)33(29,30)24-19-15-22(16-20-24)32-26(8-2)28(11-5)12-6/h13-20,25-26H,7-12H2,1-6H3
InChIKey
UFCJHHFRDMVQEB-UHFFFAOYSA-N
Compound name
1-[4-[4-[1-(diethylamino)propoxy]phenyl]sulfonylphenoxy]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.27087 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.27815 219.3
[M+Na]+ 499.26009 220.4
[M-H]- 475.26359 226.8
[M+NH4]+ 494.30469 227.7
[M+K]+ 515.23403 218.6
[M+H-H2O]+ 459.26813 208.9
[M+HCOO]- 521.26907 234.8
[M+CH3COO]- 535.28472 248.5
[M+Na-2H]- 497.24554 216.3
[M]+ 476.27032 229.0
[M]- 476.27142 229.0
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.