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 190.8
[M+Na]+ 410.15087 194.6
[M-H]- 386.15437 196.5
[M+NH4]+ 405.19547 198.8
[M+K]+ 426.12481 189.0
[M+H-H2O]+ 370.15891 180.5
[M+HCOO]- 432.15985 202.2
[M+CH3COO]- 446.17550 218.4
[M+Na-2H]- 408.13632 192.2
[M]+ 387.16110 189.3
[M]- 387.16220 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

No literature data available for this compound.

Patent stripe

patents stripe