CID 2812403

Ns00018597

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
CCC1=CC(=NC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C15H18N2O4S/c1-4-11-7-8-16-15(9-11)17-22(18,19)12-5-6-13(20-2)14(10-12)21-3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKey
IGBRZUQLIAKIMY-UHFFFAOYSA-N
Compound name
N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.09872 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.105996 172.4
[M+Na]+ 345.087938 180.8
[M-H]- 321.091444 178.3
[M+NH4]+ 340.132543 185.6
[M+K]+ 361.061878 176.9
[M+H-H2O]+ 305.095980 164.0
[M+HCOO]- 367.096921 190.5
[M+CH3COO]- 381.112571 207.0
[M+Na-2H]- 343.073386 176.5
[M]+ 322.09817142 178.5
[M]- 322.09926858 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.