CID 515920

Butyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C15H17ClN2O4S
SMILES
CCCCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C15H17ClN2O4S/c1-2-3-9-22-15(19)13-5-4-8-18(13)23(20,21)14-10-11(16)6-7-12(14)17/h4-8,10H,2-3,9,17H2,1H3
InChIKey
JEKHIAXHLAHGIF-UHFFFAOYSA-N
Compound name
butyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.05975 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06703 180.7
[M+Na]+ 379.04897 189.8
[M-H]- 355.05247 186.6
[M+NH4]+ 374.09357 195.1
[M+K]+ 395.02291 184.4
[M+H-H2O]+ 339.05701 174.2
[M+HCOO]- 401.05795 193.7
[M+CH3COO]- 415.07360 209.2
[M+Na-2H]- 377.03442 180.0
[M]+ 356.05920 187.5
[M]- 356.06030 187.5
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.