CID 3025495

Brn 5767474

Structural Information

Molecular Formula
C16H28N2O5S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)OC)OC
InChI
InChI=1S/C16H28N2O5S/c1-6-18(7-2)12-8-11-17-24(19,20)14-10-9-13(21-3)15(22-4)16(14)23-5/h9-10,17H,6-8,11-12H2,1-5H3
InChIKey
PJEPYNVYILTCKV-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-2,3,4-trimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1719 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17918 183.6
[M+Na]+ 383.16112 188.9
[M-H]- 359.16462 188.1
[M+NH4]+ 378.20572 197.0
[M+K]+ 399.13506 187.5
[M+H-H2O]+ 343.16916 175.4
[M+HCOO]- 405.17010 202.6
[M+CH3COO]- 419.18575 222.0
[M+Na-2H]- 381.14657 184.8
[M]+ 360.17135 194.0
[M]- 360.17245 194.0
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.