CID 497353

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

Structural Information

Molecular Formula
C14H14N2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)NC=O
InChI
InChI=1S/C14H14N2O5S/c1-2-21-14(18)13-4-3-9-16(13)22(19,20)12-7-5-11(6-8-12)15-10-17/h3-10H,2H2,1H3,(H,15,17)
InChIKey
CSSNAGYQLMSCGY-UHFFFAOYSA-N
Compound name
ethyl 1-(4-formamidophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.06235 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06963 171.8
[M+Na]+ 345.05157 179.9
[M-H]- 321.05507 177.9
[M+NH4]+ 340.09617 186.4
[M+K]+ 361.02551 176.6
[M+H-H2O]+ 305.05961 164.4
[M+HCOO]- 367.06055 190.7
[M+CH3COO]- 381.07620 203.3
[M+Na-2H]- 343.03702 173.9
[M]+ 322.06180 177.5
[M]- 322.06290 177.5
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.