CID 497344

Ethyl 1-[5-chloro-2-[(4-chlorophenyl)sulfonylamino]phenyl]sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C19H16Cl2N2O6S2
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16Cl2N2O6S2/c1-2-29-19(24)17-4-3-11-23(17)31(27,28)18-12-14(21)7-10-16(18)22-30(25,26)15-8-5-13(20)6-9-15/h3-12,22H,2H2,1H3
InChIKey
RMZCQEILFMJQHU-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[(4-chlorophenyl)sulfonylamino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.9827 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.98998 211.3
[M+Na]+ 524.97192 220.3
[M-H]- 500.97542 220.6
[M+NH4]+ 520.01652 220.3
[M+K]+ 540.94586 213.8
[M+H-H2O]+ 484.97996 205.5
[M+HCOO]- 546.98090 214.3
[M+CH3COO]- 560.99655 229.8
[M+Na-2H]- 522.95737 212.4
[M]+ 501.98215 221.2
[M]- 501.98325 221.2
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.