CID 515926

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

Structural Information

Molecular Formula
C17H19ClN2O4S
SMILES
C1CCC(CC1)OC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C17H19ClN2O4S/c18-12-8-9-14(19)16(11-12)25(22,23)20-10-4-7-15(20)17(21)24-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,19H2
InChIKey
DDSZFVQIEYMGKL-UHFFFAOYSA-N
Compound name
cyclohexyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.0754 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08268 187.1
[M+Na]+ 405.06462 193.7
[M-H]- 381.06812 195.1
[M+NH4]+ 400.10922 199.8
[M+K]+ 421.03856 188.4
[M+H-H2O]+ 365.07266 180.0
[M+HCOO]- 427.07360 196.7
[M+CH3COO]- 441.08925 212.3
[M+Na-2H]- 403.05007 185.4
[M]+ 382.07485 188.3
[M]- 382.07595 188.3
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.