CID 3087196

Methanesulfonamide, n-(4-((1-(2-phenylethyl)-4-piperidinyl)carbonyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O3S/c1-27(25,26)22-20-9-7-18(8-10-20)21(24)19-12-15-23(16-13-19)14-11-17-5-3-2-4-6-17/h2-10,19,22H,11-16H2,1H3
InChIKey
LBGWPPMYVZTKSF-UHFFFAOYSA-N
Compound name
N-[4-[1-(2-phenylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

386.1664 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17368 191.0
[M+Na]+ 409.15562 194.4
[M-H]- 385.15912 197.8
[M+NH4]+ 404.20022 200.4
[M+K]+ 425.12956 188.8
[M+H-H2O]+ 369.16366 181.2
[M+HCOO]- 431.16460 203.3
[M+CH3COO]- 445.18025 218.6
[M+Na-2H]- 407.14107 191.8
[M]+ 386.16585 189.4
[M]- 386.16695 189.4
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