CID 515940

1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxamide

Structural Information

Molecular Formula
C11H10ClN3O3S
SMILES
C1=CN(C(=C1)C(=O)N)S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C11H10ClN3O3S/c12-7-3-4-8(13)10(6-7)19(17,18)15-5-1-2-9(15)11(14)16/h1-6H,13H2,(H2,14,16)
InChIKey
SBBXJSBCOVPDET-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.01315 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.02043 164.3
[M+Na]+ 322.00237 174.4
[M-H]- 298.00587 170.2
[M+NH4]+ 317.04697 180.4
[M+K]+ 337.97631 168.8
[M+H-H2O]+ 282.01041 158.4
[M+HCOO]- 344.01135 178.7
[M+CH3COO]- 358.02700 200.5
[M+Na-2H]- 319.98782 164.9
[M]+ 299.01260 166.7
[M]- 299.01370 166.7
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.