CID 13599914

103595-50-2

Structural Information

Molecular Formula
C16H26N2O5S
SMILES
CCN1CCCC1CNS(=O)(=O)C2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C16H26N2O5S/c1-5-18-10-6-7-12(18)11-17-24(19,20)14-9-8-13(21-2)15(22-3)16(14)23-4/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKey
YPTIAZZKEKAPOU-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3,4-trimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.15625 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16353 182.8
[M+Na]+ 381.14547 189.2
[M-H]- 357.14897 188.2
[M+NH4]+ 376.19007 196.5
[M+K]+ 397.11941 186.7
[M+H-H2O]+ 341.15351 175.4
[M+HCOO]- 403.15445 198.7
[M+CH3COO]- 417.17010 213.9
[M+Na-2H]- 379.13092 182.2
[M]+ 358.15570 189.4
[M]- 358.15680 189.4
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.