CID 497337

Ethyl 1-(2-benzamido-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C20H17ClN2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H17ClN2O5S/c1-2-28-20(25)17-9-6-12-23(17)29(26,27)18-13-15(21)10-11-16(18)22-19(24)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,22,24)
InChIKey
NBEVIOIQKNYDBK-UHFFFAOYSA-N
Compound name
ethyl 1-(2-benzamido-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.05466 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.06194 199.2
[M+Na]+ 455.04388 207.1
[M-H]- 431.04738 208.6
[M+NH4]+ 450.08848 210.0
[M+K]+ 471.01782 201.7
[M+H-H2O]+ 415.05192 191.4
[M+HCOO]- 477.05286 212.0
[M+CH3COO]- 491.06851 222.2
[M+Na-2H]- 453.02933 199.0
[M]+ 432.05411 206.5
[M]- 432.05521 206.5
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.