CID 497352

Ethyl 1-(4-ureidophenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₅S

SMILES

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)N

InChI

InChI=1S/C14H15N3O5S/c1-2-22-13(18)12-4-3-9-17(12)23(20,21)11-7-5-10(6-8-11)16-14(15)19/h3-9H,2H2,1H3,(H3,15,16,19)

InChIKey

DJTIKUHBFNRLKO-UHFFFAOYSA-N

Compound name

ethyl 1-[4-(carbamoylamino)phenyl]sulfonylpyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.07324 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.080516	175.3
[M+Na]+	360.062458	182.0
[M-H]-	336.065964	180.9
[M+NH4]+	355.107063	188.6
[M+K]+	376.036398	179.0
[M+H-H2O]+	320.070500	167.6
[M+HCOO]-	382.071441	193.5
[M+CH3COO]-	396.087091	208.3
[M+Na-2H]-	358.047906	176.3
[M]+	337.07269142	178.6
[M]-	337.07378858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.