CID 515927

2-methoxyethyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C14H15ClN2O5S
SMILES
COCCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C14H15ClN2O5S/c1-21-7-8-22-14(18)12-3-2-6-17(12)23(19,20)13-9-10(15)4-5-11(13)16/h2-6,9H,7-8,16H2,1H3
InChIKey
BHXPMUSVORIGJR-UHFFFAOYSA-N
Compound name
2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.03903 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04631 178.7
[M+Na]+ 381.02825 187.9
[M-H]- 357.03175 184.7
[M+NH4]+ 376.07285 192.9
[M+K]+ 397.00219 183.4
[M+H-H2O]+ 341.03629 172.3
[M+HCOO]- 403.03723 192.2
[M+CH3COO]- 417.05288 208.4
[M+Na-2H]- 379.01370 178.8
[M]+ 358.03848 186.6
[M]- 358.03958 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.