CID 515931

Ethyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-3-carboxylate

Structural Information

Molecular Formula
C13H13ClN2O4S
SMILES
CCOC(=O)C1=CN(C=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C13H13ClN2O4S/c1-2-20-13(17)9-5-6-16(8-9)21(18,19)12-7-10(14)3-4-11(12)15/h3-8H,2,15H2,1H3
InChIKey
RJDKYXKRNJVDFT-UHFFFAOYSA-N
Compound name
ethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.02844 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03572 171.8
[M+Na]+ 351.01766 181.8
[M-H]- 327.02116 178.1
[M+NH4]+ 346.06226 187.4
[M+K]+ 366.99160 176.9
[M+H-H2O]+ 311.02570 165.8
[M+HCOO]- 373.02664 185.5
[M+CH3COO]- 387.04229 203.3
[M+Na-2H]- 349.00311 172.1
[M]+ 328.02789 178.0
[M]- 328.02899 178.0
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.