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 199.2
[M+Na]+ 446.15087 203.7
[M-H]- 422.15437 205.5
[M+NH4]+ 441.19547 206.5
[M+K]+ 462.12481 197.3
[M+H-H2O]+ 406.15891 188.5
[M+HCOO]- 468.15985 209.1
[M+CH3COO]- 482.17550 206.2
[M+Na-2H]- 444.13632 202.0
[M]+ 423.16110 197.8
[M]- 423.16220 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