CID 3071741

Brn 5350184

Structural Information

Molecular Formula
C14H25N3O3S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C(C=CN=C1)OCC
InChI
InChI=1S/C14H25N3O3S/c1-4-17(5-2)11-7-9-16-21(18,19)14-12-15-10-8-13(14)20-6-3/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKey
OXXNVFCTHLDGKL-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16893 173.6
[M+Na]+ 338.15087 178.7
[M-H]- 314.15437 176.5
[M+NH4]+ 333.19547 187.3
[M+K]+ 354.12481 176.2
[M+H-H2O]+ 298.15891 165.1
[M+HCOO]- 360.15985 191.7
[M+CH3COO]- 374.17550 212.0
[M+Na-2H]- 336.13632 176.6
[M]+ 315.16110 180.2
[M]- 315.16220 180.2
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.