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]+ 350.116896 178.8
[M+Na]+ 372.098838 184.1
[M-H]- 348.102344 183.7
[M+NH4]+ 367.143443 189.8
[M+K]+ 388.072778 179.8
[M+H-H2O]+ 332.106880 169.6
[M+HCOO]- 394.107821 196.8
[M+CH3COO]- 408.123471 212.1
[M+Na-2H]- 370.084286 183.7
[M]+ 349.10907142 182.3
[M]- 349.11016858 182.3
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.