CID 497322

Ethyl 1-[5-chloro-2-(cyclopropanecarbonylamino)phenyl]sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C17H17ClN2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CC3
InChI
InChI=1S/C17H17ClN2O5S/c1-2-25-17(22)14-4-3-9-20(14)26(23,24)15-10-12(18)7-8-13(15)19-16(21)11-5-6-11/h3-4,7-11H,2,5-6H2,1H3,(H,19,21)
InChIKey
FQIVVTFKNFYJMG-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-(cyclopropanecarbonylamino)phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.05466 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06194 183.0
[M+Na]+ 419.04388 192.0
[M-H]- 395.04738 192.4
[M+NH4]+ 414.08848 190.9
[M+K]+ 435.01782 186.0
[M+H-H2O]+ 379.05192 176.8
[M+HCOO]- 441.05286 195.9
[M+CH3COO]- 455.06851 217.6
[M+Na-2H]- 417.02933 182.6
[M]+ 396.05411 192.5
[M]- 396.05521 192.5
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.