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]+ 359.163526 182.8
[M+Na]+ 381.145468 189.2
[M-H]- 357.148974 188.2
[M+NH4]+ 376.190073 196.5
[M+K]+ 397.119408 186.7
[M+H-H2O]+ 341.153510 175.4
[M+HCOO]- 403.154451 198.7
[M+CH3COO]- 417.170101 213.9
[M+Na-2H]- 379.130916 182.2
[M]+ 358.15570142 189.4
[M]- 358.15679858 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.