CID 515941

1-(2-amino-5-chloro-phenyl)sulfonyl-n-ethyl-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C13H14ClN3O3S
SMILES
CCNC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C13H14ClN3O3S/c1-2-16-13(18)11-4-3-7-17(11)21(19,20)12-8-9(14)5-6-10(12)15/h3-8H,2,15H2,1H3,(H,16,18)
InChIKey
QTHCJNZDYZYQRF-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)sulfonyl-N-ethylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.04443 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05171 173.2
[M+Na]+ 350.03365 182.4
[M-H]- 326.03715 179.2
[M+NH4]+ 345.07825 188.4
[M+K]+ 366.00759 176.7
[M+H-H2O]+ 310.04169 166.8
[M+HCOO]- 372.04263 187.5
[M+CH3COO]- 386.05828 206.3
[M+Na-2H]- 348.01910 173.8
[M]+ 327.04388 177.1
[M]- 327.04498 177.1
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.