CID 3044772

2-methoxy-5-(methylsulfonyl)-n-(1-(phenylmethyl)-4-piperidinyl)benzamide hydrochloride

Structural Information

Molecular Formula
C21H26N2O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O4S/c1-27-20-9-8-18(28(2,25)26)14-19(20)21(24)22-17-10-12-23(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
InChIKey
FRQPHAWGOHHXGZ-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.16132 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16860 193.0
[M+Na]+ 425.15054 204.1
[M+NH4]+ 420.19514 198.9
[M+K]+ 441.12448 196.2
[M-H]- 401.15404 197.2
[M+Na-2H]- 423.13599 200.3
[M]+ 402.16077 196.1
[M]- 402.16187 196.1
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

No patent data available for this compound.