CID 479858

Chembl89715

Structural Information

Molecular Formula
C28H33FN2O2S
SMILES
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H33FN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3
InChIKey
GOAGIHPIVKFWDD-UHFFFAOYSA-N
Compound name
N-[2-(3-fluorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

480.22467 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.23195 215.5
[M+Na]+ 503.21389 217.0
[M-H]- 479.21739 224.2
[M+NH4]+ 498.25849 220.9
[M+K]+ 519.18783 210.5
[M+H-H2O]+ 463.22193 202.5
[M+HCOO]- 525.22287 225.6
[M+CH3COO]- 539.23852 239.4
[M+Na-2H]- 501.19934 214.0
[M]+ 480.22412 212.9
[M]- 480.22522 212.9
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

patents stripe