CID 3044761

Benzamide, 5-(aminosulfonyl)-2-methoxy-n-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H25N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H25N3O4S/c1-27-19-8-7-17(28(21,25)26)13-18(19)20(24)22-16-9-11-23(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,24)(H2,21,25,26)
InChIKey
CSOVKQCZBPETQB-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1566 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16388 193.2
[M+Na]+ 426.14582 196.7
[M-H]- 402.14932 199.9
[M+NH4]+ 421.19042 201.4
[M+K]+ 442.11976 191.8
[M+H-H2O]+ 386.15386 183.4
[M+HCOO]- 448.15480 206.3
[M+CH3COO]- 462.17045 223.3
[M+Na-2H]- 424.13127 194.1
[M]+ 403.15605 191.4
[M]- 403.15715 191.4
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.