CID 11772520

119018-29-0

Structural Information

Molecular Formula
C16H21N3O4S
SMILES
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C
InChI
InChI=1S/C16H21N3O4S/c1-3-14-11(2)10-19(15(14)20)16(21)18-9-8-12-4-6-13(7-5-12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKey
AJEMFZRCUKJSES-UHFFFAOYSA-N
Compound name
4-ethyl-3-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

351.12527 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13255 182.7
[M+Na]+ 374.11449 190.4
[M+NH4]+ 369.15909 187.0
[M+K]+ 390.08843 186.6
[M-H]- 350.11799 183.5
[M+Na-2H]- 372.09994 185.4
[M]+ 351.12472 184.0
[M]- 351.12582 184.0
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

patents stripe