CID 3087189

Methanesulfonamide, n-(4-((1-(3-(4-pyridinyl)propyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H27N3O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCCC3=CC=NC=C3
InChI
InChI=1S/C21H27N3O3S/c1-28(26,27)23-20-6-4-18(5-7-20)21(25)19-10-15-24(16-11-19)14-2-3-17-8-12-22-13-9-17/h4-9,12-13,19,23H,2-3,10-11,14-16H2,1H3
InChIKey
KCMLJVMARPOPSX-UHFFFAOYSA-N
Compound name
N-[4-[1-(3-pyridin-4-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

401.1773 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18458 193.1
[M+Na]+ 424.16652 204.1
[M+NH4]+ 419.21112 198.8
[M+K]+ 440.14046 195.8
[M-H]- 400.17002 197.0
[M+Na-2H]- 422.15197 200.6
[M]+ 401.17675 196.0
[M]- 401.17785 196.0
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