CID 515939

1-(2-aminophenyl)sulfonylpyrrole-2-carboxamide

Structural Information

Molecular Formula
C11H11N3O3S
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)N2C=CC=C2C(=O)N
InChI
InChI=1S/C11H11N3O3S/c12-8-4-1-2-6-10(8)18(16,17)14-7-3-5-9(14)11(13)15/h1-7H,12H2,(H2,13,15)
InChIKey
VETUHSODYAVRHY-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.05212 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05940 157.0
[M+Na]+ 288.04134 165.7
[M-H]- 264.04484 162.5
[M+NH4]+ 283.08594 173.3
[M+K]+ 304.01528 161.6
[M+H-H2O]+ 248.04938 150.0
[M+HCOO]- 310.05032 176.0
[M+CH3COO]- 324.06597 195.5
[M+Na-2H]- 286.02679 158.8
[M]+ 265.05157 157.0
[M]- 265.05267 157.0
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.