CID 497339

Ethyl 1-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C20H16Cl2N2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16Cl2N2O5S/c1-2-29-20(26)17-4-3-11-24(17)30(27,28)18-12-15(22)9-10-16(18)23-19(25)13-5-7-14(21)8-6-13/h3-12H,2H2,1H3,(H,23,25)
InChIKey
IDANIIBACOXAKH-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.0157 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.02298 204.0
[M+Na]+ 489.00492 212.9
[M-H]- 465.00842 213.4
[M+NH4]+ 484.04952 214.4
[M+K]+ 504.97886 206.9
[M+H-H2O]+ 449.01296 197.1
[M+HCOO]- 511.01390 211.9
[M+CH3COO]- 525.02955 227.2
[M+Na-2H]- 486.99037 202.8
[M]+ 466.01515 213.1
[M]- 466.01625 213.1
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.