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 194.5
[M+Na]+ 425.15054 198.5
[M-H]- 401.15404 201.7
[M+NH4]+ 420.19514 203.4
[M+K]+ 441.12448 193.7
[M+H-H2O]+ 385.15858 184.7
[M+HCOO]- 447.15952 207.0
[M+CH3COO]- 461.17517 221.4
[M+Na-2H]- 423.13599 194.9
[M]+ 402.16077 194.6
[M]- 402.16187 194.6
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.