CID 515942

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

Structural Information

Molecular Formula
C15H18ClN3O3S
SMILES
CCN(CC)C(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C15H18ClN3O3S/c1-3-18(4-2)15(20)13-6-5-9-19(13)23(21,22)14-10-11(16)7-8-12(14)17/h5-10H,3-4,17H2,1-2H3
InChIKey
PBGPZGZHDFWMDI-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.07574 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08302 181.7
[M+Na]+ 378.06496 190.2
[M-H]- 354.06846 189.0
[M+NH4]+ 373.10956 196.5
[M+K]+ 394.03890 185.5
[M+H-H2O]+ 338.07300 174.8
[M+HCOO]- 400.07394 195.9
[M+CH3COO]- 414.08959 215.4
[M+Na-2H]- 376.05041 180.9
[M]+ 355.07519 187.7
[M]- 355.07629 187.7
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.