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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08052 175.3
[M+Na]+ 360.06246 182.0
[M-H]- 336.06596 180.9
[M+NH4]+ 355.10706 188.6
[M+K]+ 376.03640 179.0
[M+H-H2O]+ 320.07050 167.6
[M+HCOO]- 382.07144 193.5
[M+CH3COO]- 396.08709 208.3
[M+Na-2H]- 358.04791 176.3
[M]+ 337.07269 178.6
[M]- 337.07379 178.6
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.