CID 23695

Brn 2543363

Structural Information

Molecular Formula
C19H25NO3S
SMILES
CN(C)CCOCCS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H25NO3S/c1-20(2)13-14-23-15-16-24(21,22)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKey
IOEBXHQDIULCMA-UHFFFAOYSA-N
Compound name
2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.15552 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.16280 183.1
[M+Na]+ 370.14474 187.2
[M-H]- 346.14824 190.1
[M+NH4]+ 365.18934 196.4
[M+K]+ 386.11868 184.0
[M+H-H2O]+ 330.15278 174.3
[M+HCOO]- 392.15372 200.5
[M+CH3COO]- 406.16937 214.6
[M+Na-2H]- 368.13019 185.3
[M]+ 347.15497 188.3
[M]- 347.15607 188.3
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.