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 195.0
[M+Na]+ 424.16652 198.3
[M-H]- 400.17002 200.4
[M+NH4]+ 419.21112 202.3
[M+K]+ 440.14046 192.4
[M+H-H2O]+ 384.17456 184.4
[M+HCOO]- 446.17550 205.9
[M+CH3COO]- 460.19115 221.3
[M+Na-2H]- 422.15197 195.9
[M]+ 401.17675 193.7
[M]- 401.17785 193.7
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