CID 101631562

144449-71-8

Structural Information

Molecular Formula
C19H27N3O6S2
SMILES
C[N+](CCC1=CC=C(C=C1)NS(=O)(=O)C)(CCOC2=CC=C(C=C2)NS(=O)(=O)C)[O-]
InChI
InChI=1S/C19H27N3O6S2/c1-22(23,13-12-16-4-6-17(7-5-16)20-29(2,24)25)14-15-28-19-10-8-18(9-11-19)21-30(3,26)27/h4-11,20-21H,12-15H2,1-3H3
InChIKey
AYRPGSAYHYJPGA-UHFFFAOYSA-N
Compound name
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-[4-(methanesulfonamido)phenyl]-N-methylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.13412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.14140 200.3
[M+Na]+ 480.12334 202.4
[M-H]- 456.12684 204.9
[M+NH4]+ 475.16794 207.2
[M+K]+ 496.09728 192.1
[M+H-H2O]+ 440.13138 195.3
[M+HCOO]- 502.13232 212.1
[M+CH3COO]- 516.14797 224.1
[M+Na-2H]- 478.10879 210.1
[M]+ 457.13357 201.8
[M]- 457.13467 201.8
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.