CID 3087202

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

Structural Information

Molecular Formula
C23H25N3O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C23H25N3O3S/c1-30(28,29)25-21-8-6-18(7-9-21)23(27)19-10-12-26(13-11-19)16-17-14-20-4-2-3-5-22(20)24-15-17/h2-9,14-15,19,25H,10-13,16H2,1H3
InChIKey
RPBITOAXONXVCI-UHFFFAOYSA-N
Compound name
N-[4-[1-(quinolin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

423.16165 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.168926 199.2
[M+Na]+ 446.150868 203.7
[M-H]- 422.154374 205.5
[M+NH4]+ 441.195473 206.5
[M+K]+ 462.124808 197.3
[M+H-H2O]+ 406.158910 188.5
[M+HCOO]- 468.159851 209.1
[M+CH3COO]- 482.175501 206.2
[M+Na-2H]- 444.136316 202.0
[M]+ 423.16110142 197.8
[M]- 423.16219858 197.8
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