CID 464827

173908-57-1

Structural Information

Molecular Formula
C15H15ClN2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C
InChI
InChI=1S/C15H15ClN2O5S/c1-3-23-15(20)13-5-4-8-18(13)24(21,22)14-9-11(16)6-7-12(14)17-10(2)19/h4-9H,3H2,1-2H3,(H,17,19)
InChIKey
KDRUOLUGIPIVOD-UHFFFAOYSA-N
Compound name
ethyl 1-(2-acetamido-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

370.03903 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04631 181.8
[M+Na]+ 393.02825 190.6
[M-H]- 369.03175 188.4
[M+NH4]+ 388.07285 195.7
[M+K]+ 409.00219 186.2
[M+H-H2O]+ 353.03629 175.5
[M+HCOO]- 415.03723 194.8
[M+CH3COO]- 429.05288 211.3
[M+Na-2H]- 391.01370 181.6
[M]+ 370.03848 189.8
[M]- 370.03958 189.8
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