CID 11605142

Schembl5793247

Structural Information

Molecular Formula
C24H26N4O4S
SMILES
C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCCC4=CC=NC=C4
InChI
InChI=1S/C24H26N4O4S/c29-24(26-14-11-19-9-12-25-13-10-19)20-1-7-23(8-2-20)33(30,31)27-21-3-5-22(6-4-21)28-15-17-32-18-16-28/h1-10,12-13,27H,11,14-18H2,(H,26,29)
InChIKey
MOZOSXCNFKDHSH-UHFFFAOYSA-N
Compound name
4-[(4-morpholin-4-ylphenyl)sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

466.16748 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17476 207.5
[M+Na]+ 489.15670 209.9
[M-H]- 465.16020 216.4
[M+NH4]+ 484.20130 209.8
[M+K]+ 505.13064 204.9
[M+H-H2O]+ 449.16474 195.4
[M+HCOO]- 511.16568 219.2
[M+CH3COO]- 525.18133 233.5
[M+Na-2H]- 487.14215 211.4
[M]+ 466.16693 205.6
[M]- 466.16803 205.6
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

patents stripe