CID 515925

Zinc03590682

Structural Information

Molecular Formula
C16H17ClN2O4S
SMILES
C1CCC(C1)OC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C16H17ClN2O4S/c17-11-7-8-13(18)15(10-11)24(21,22)19-9-3-6-14(19)16(20)23-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,18H2
InChIKey
FOGSVCNXGLUPOE-UHFFFAOYSA-N
Compound name
cyclopentyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.05975 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06703 185.6
[M+Na]+ 391.04897 193.7
[M-H]- 367.05247 194.8
[M+NH4]+ 386.09357 201.0
[M+K]+ 407.02291 188.9
[M+H-H2O]+ 351.05701 179.6
[M+HCOO]- 413.05795 197.9
[M+CH3COO]- 427.07360 209.0
[M+Na-2H]- 389.03442 182.8
[M]+ 368.05920 188.9
[M]- 368.06030 188.9
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.