CID 13599915

Brn 5762737

Structural Information

Molecular Formula
C15H25NO5S
SMILES
CCN(CC)CCS(=O)(=O)C1=C(C(=C(C=C1)OC)OC)OC
InChI
InChI=1S/C15H25NO5S/c1-6-16(7-2)10-11-22(17,18)13-9-8-12(19-3)14(20-4)15(13)21-5/h8-9H,6-7,10-11H2,1-5H3
InChIKey
PXTHPMMZJNHDIO-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2,3,4-trimethoxyphenyl)sulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14536 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15264 175.2
[M+Na]+ 354.13458 182.0
[M-H]- 330.13808 180.2
[M+NH4]+ 349.17918 190.4
[M+K]+ 370.10852 180.9
[M+H-H2O]+ 314.14262 167.9
[M+HCOO]- 376.14356 193.7
[M+CH3COO]- 390.15921 213.9
[M+Na-2H]- 352.12003 176.3
[M]+ 331.14481 186.2
[M]- 331.14591 186.2
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.