CID 497340

Ethyl 1-[5-chloro-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C21H19ClN2O6S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)OC3=CC=C(C=C3)C
InChI
InChI=1S/C21H19ClN2O6S/c1-3-29-20(25)18-5-4-12-24(18)31(27,28)19-13-15(22)8-11-17(19)23-21(26)30-16-9-6-14(2)7-10-16/h4-13H,3H2,1-2H3,(H,23,26)
InChIKey
ZUQCDHMYAMKIST-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.06525 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.07253 205.9
[M+Na]+ 485.05447 213.8
[M-H]- 461.05797 215.6
[M+NH4]+ 480.09907 215.7
[M+K]+ 501.02841 209.2
[M+H-H2O]+ 445.06251 198.1
[M+HCOO]- 507.06345 218.6
[M+CH3COO]- 521.07910 227.9
[M+Na-2H]- 483.03992 205.1
[M]+ 462.06470 215.3
[M]- 462.06580 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.