CID 202001

Brn 2605279

Structural Information

Molecular Formula
C19H25NO5S2
SMILES
CN(C)CCOCCS(=O)(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)S(=O)O
InChI
InChI=1S/C19H25NO5S2/c1-20(2)13-14-25-15-16-27(23,24)19(26(21)22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,21,22)
InChIKey
SSOQHKMXBIADAQ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]ethylsulfonyl-diphenylmethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12468 195.5
[M+Na]+ 434.10662 198.6
[M-H]- 410.11012 200.2
[M+NH4]+ 429.15122 205.1
[M+K]+ 450.08056 194.2
[M+H-H2O]+ 394.11466 187.0
[M+HCOO]- 456.11560 204.8
[M+CH3COO]- 470.13125 220.0
[M+Na-2H]- 432.09207 198.1
[M]+ 411.11685 200.8
[M]- 411.11795 200.8
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.