CID 3087192

Methanesulfonamide, n-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H25N3O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=NC=C3
InChI
InChI=1S/C20H25N3O3S/c1-27(25,26)22-19-4-2-17(3-5-19)20(24)18-9-14-23(15-10-18)13-8-16-6-11-21-12-7-16/h2-7,11-12,18,22H,8-10,13-15H2,1H3
InChIKey
MHFHZLJTTHQPRU-UHFFFAOYSA-N
Compound name
N-[4-[1-(2-pyridin-4-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

387.16165 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16893 188.9
[M+Na]+ 410.15087 200.1
[M+NH4]+ 405.19547 194.7
[M+K]+ 426.12481 192.0
[M-H]- 386.15437 192.8
[M+Na-2H]- 408.13632 196.6
[M]+ 387.16110 191.9
[M]- 387.16220 191.9
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