CID 464840

142529-01-9

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC=CC=C2N
InChI
InChI=1S/C13H14N2O4S/c1-2-19-13(16)11-7-5-9-15(11)20(17,18)12-8-4-3-6-10(12)14/h3-9H,2,14H2,1H3
InChIKey
YWQSOBQWNWDIRF-UHFFFAOYSA-N
Compound name
ethyl 1-(2-aminophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0674 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 165.6
[M+Na]+ 317.05662 174.2
[M-H]- 293.06012 171.4
[M+NH4]+ 312.10122 181.4
[M+K]+ 333.03056 170.7
[M+H-H2O]+ 277.06466 158.6
[M+HCOO]- 339.06560 183.9
[M+CH3COO]- 353.08125 198.4
[M+Na-2H]- 315.04207 166.9
[M]+ 294.06685 169.4
[M]- 294.06795 169.4
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.