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

9
Patents

423.16165 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16893 196.8
[M+Na]+ 446.15087 209.7
[M+NH4]+ 441.19547 203.4
[M+K]+ 462.12481 200.6
[M-H]- 422.15437 201.9
[M+Na-2H]- 444.13632 205.2
[M]+ 423.16110 200.5
[M]- 423.16220 200.5
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