CID 497351

Ethyl 1-(4-acetamidophenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C15H16N2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C15H16N2O5S/c1-3-22-15(19)14-5-4-10-17(14)23(20,21)13-8-6-12(7-9-13)16-11(2)18/h4-10H,3H2,1-2H3,(H,16,18)
InChIKey
FJHZETNGXGITIB-UHFFFAOYSA-N
Compound name
ethyl 1-(4-acetamidophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.078 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08528 176.2
[M+Na]+ 359.06722 183.5
[M-H]- 335.07072 182.3
[M+NH4]+ 354.11182 190.2
[M+K]+ 375.04116 180.7
[M+H-H2O]+ 319.07526 168.8
[M+HCOO]- 381.07620 193.8
[M+CH3COO]- 395.09185 206.5
[M+Na-2H]- 357.05267 176.9
[M]+ 336.07745 181.7
[M]- 336.07855 181.7
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.