CID 210927

Nicotinoyltaurinophenetidine

Structural Information

Molecular Formula
C16H19N3O4S
SMILES
CCOC1=CC=C(C=C1)NS(=O)(=O)CCNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C16H19N3O4S/c1-2-23-15-7-5-14(6-8-15)19-24(21,22)11-10-18-16(20)13-4-3-9-17-12-13/h3-9,12,19H,2,10-11H2,1H3,(H,18,20)
InChIKey
HRVJQYZQNOFNOI-UHFFFAOYSA-N
Compound name
N-[2-[(4-ethoxyphenyl)sulfamoyl]ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.10962 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11690 178.6
[M+Na]+ 372.09884 188.4
[M+NH4]+ 367.14344 183.7
[M+K]+ 388.07278 181.5
[M-H]- 348.10234 180.7
[M+Na-2H]- 370.08429 185.4
[M]+ 349.10907 180.7
[M]- 349.11017 180.7
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.