CID 464845

Chembl147508

Structural Information

Molecular Formula
C17H19FN2O3S
SMILES
C1CCC(CC1)NC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3F
InChI
InChI=1S/C17H19FN2O3S/c18-14-9-4-5-11-16(14)24(22,23)20-12-6-10-15(20)17(21)19-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H,19,21)
InChIKey
HVJSMSRUDGEBEF-UHFFFAOYSA-N
Compound name
N-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.11005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11733 179.3
[M+Na]+ 373.09927 184.7
[M-H]- 349.10277 186.0
[M+NH4]+ 368.14387 192.3
[M+K]+ 389.07321 179.9
[M+H-H2O]+ 333.10731 170.3
[M+HCOO]- 395.10825 192.9
[M+CH3COO]- 409.12390 208.5
[M+Na-2H]- 371.08472 178.8
[M]+ 350.10950 176.4
[M]- 350.11060 176.4
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.