CID 132002

Mdl 28133a

Structural Information

Molecular Formula
C21H23FN2O4S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O4S/c1-29(27,28)23-19-8-4-16(5-9-19)21(26)17-10-12-24(13-11-17)14-20(25)15-2-6-18(22)7-3-15/h2-9,17,23H,10-14H2,1H3
InChIKey
PHKRHJHKBKDBEI-UHFFFAOYSA-N
Compound name
N-[4-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

418.13626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14354 194.8
[M+Na]+ 441.12548 204.4
[M+NH4]+ 436.17008 199.4
[M+K]+ 457.09942 197.4
[M-H]- 417.12898 196.9
[M+Na-2H]- 439.11093 200.9
[M]+ 418.13571 196.9
[M]- 418.13681 196.9
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

patents stripe