CID 3025491

103595-46-6

Structural Information

Molecular Formula
C15H26N2O5S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C(=C(C=C1)OC)OC)OC
InChI
InChI=1S/C15H26N2O5S/c1-6-17(7-2)11-10-16-23(18,19)13-9-8-12(20-3)14(21-4)15(13)22-5/h8-9,16H,6-7,10-11H2,1-5H3
InChIKey
CZKTZKCTDWOZEJ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2,3,4-trimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15625 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16353 179.2
[M+Na]+ 369.14547 184.9
[M-H]- 345.14897 183.9
[M+NH4]+ 364.19007 193.2
[M+K]+ 385.11941 183.8
[M+H-H2O]+ 329.15351 171.2
[M+HCOO]- 391.15445 198.5
[M+CH3COO]- 405.17010 219.1
[M+Na-2H]- 367.13092 180.8
[M]+ 346.15570 189.3
[M]- 346.15680 189.3
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.