CID 497342

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

Structural Information

Molecular Formula
C19H17ClN2O6S2
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H17ClN2O6S2/c1-2-28-19(23)17-9-6-12-22(17)30(26,27)18-13-14(20)10-11-16(18)21-29(24,25)15-7-4-3-5-8-15/h3-13,21H,2H2,1H3
InChIKey
URMSKSJZIXNWNB-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(benzenesulfonamido)-5-chlorophenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.02167 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.02895 207.1
[M+Na]+ 491.01089 215.4
[M-H]- 467.01439 216.2
[M+NH4]+ 486.05549 216.5
[M+K]+ 506.98483 209.2
[M+H-H2O]+ 451.01893 200.2
[M+HCOO]- 513.01987 214.8
[M+CH3COO]- 527.03552 224.9
[M+Na-2H]- 488.99634 209.2
[M]+ 468.02112 215.3
[M]- 468.02222 215.3
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.