CID 497343

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

Structural Information

Molecular Formula
C20H19ClN2O6S2
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H19ClN2O6S2/c1-3-29-20(24)18-5-4-12-23(18)31(27,28)19-13-15(21)8-11-17(19)22-30(25,26)16-9-6-14(2)7-10-16/h4-13,22H,3H2,1-2H3
InChIKey
GKTHISGSNFSRCE-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.0373 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.04458 210.9
[M+Na]+ 505.02652 219.4
[M-H]- 481.03002 220.1
[M+NH4]+ 500.07112 220.0
[M+K]+ 521.00046 213.1
[M+H-H2O]+ 465.03456 204.1
[M+HCOO]- 527.03550 218.2
[M+CH3COO]- 541.05115 229.0
[M+Na-2H]- 503.01197 212.0
[M]+ 482.03675 219.9
[M]- 482.03785 219.9
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.