CID 3047469

Benzamide, 2-methoxy-4-((methylsulfonyl)amino)-n-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H27N3O4S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H27N3O4S/c1-28-20-14-18(23-29(2,26)27)8-9-19(20)21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,23H,10-13,15H2,1-2H3,(H,22,25)
InChIKey
YWUHSZWPERVAJJ-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-(methanesulfonamido)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.17224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17952 197.0
[M+Na]+ 440.16146 199.9
[M-H]- 416.16496 203.9
[M+NH4]+ 435.20606 204.8
[M+K]+ 456.13540 195.2
[M+H-H2O]+ 400.16950 186.8
[M+HCOO]- 462.17044 210.3
[M+CH3COO]- 476.18609 226.7
[M+Na-2H]- 438.14691 198.3
[M]+ 417.17169 196.4
[M]- 417.17279 196.4
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

No patent data available for this compound.