CID 9953268

Deps-benzamide

Structural Information

Molecular Formula
C20H22F2N2O3S
SMILES
C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C(=O)N)CCC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C20H22F2N2O3S/c21-16-4-1-14(19(22)13-16)7-10-24-11-8-18(9-12-24)28(26,27)17-5-2-15(3-6-17)20(23)25/h1-6,13,18H,7-12H2,(H2,23,25)
InChIKey
BYFGXTUYWNOQIF-UHFFFAOYSA-N
Compound name
4-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

408.13193 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13921 193.4
[M+Na]+ 431.12115 199.0
[M-H]- 407.12465 197.8
[M+NH4]+ 426.16575 202.0
[M+K]+ 447.09509 192.4
[M+H-H2O]+ 391.12919 182.2
[M+HCOO]- 453.13013 203.2
[M+CH3COO]- 467.14578 223.0
[M+Na-2H]- 429.10660 191.2
[M]+ 408.13138 189.3
[M]- 408.13248 189.3
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

patents stripe