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

10
Patents

401.1773 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.184576 195.0
[M+Na]+ 424.166518 198.3
[M-H]- 400.170024 200.4
[M+NH4]+ 419.211123 202.3
[M+K]+ 440.140458 192.4
[M+H-H2O]+ 384.174560 184.4
[M+HCOO]- 446.175501 205.9
[M+CH3COO]- 460.191151 221.3
[M+Na-2H]- 422.151966 195.9
[M]+ 401.17675142 193.7
[M]- 401.17784858 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