CID 515922

Sec-butyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C15H17ClN2O4S
SMILES
CCC(C)OC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C15H17ClN2O4S/c1-3-10(2)22-15(19)13-5-4-8-18(13)23(20,21)14-9-11(16)6-7-12(14)17/h4-10H,3,17H2,1-2H3
InChIKey
AQWZKOZPZGBOPF-UHFFFAOYSA-N
Compound name
butan-2-yl 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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06703 180.0
[M+Na]+ 379.04897 188.7
[M-H]- 355.05247 186.0
[M+NH4]+ 374.09357 194.3
[M+K]+ 395.02291 183.9
[M+H-H2O]+ 339.05701 173.8
[M+HCOO]- 401.05795 192.0
[M+CH3COO]- 415.07360 210.1
[M+Na-2H]- 377.03442 178.4
[M]+ 356.05920 186.3
[M]- 356.06030 186.3
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.