CID 11683857

875051-65-3

Structural Information

Molecular Formula
C23H24N4O4S
SMILES
C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4
InChI
InChI=1S/C23H24N4O4S/c28-23(25-17-20-3-1-2-12-24-20)18-4-10-22(11-5-18)32(29,30)26-19-6-8-21(9-7-19)27-13-15-31-16-14-27/h1-12,26H,13-17H2,(H,25,28)
InChIKey
WBCHDSLXCIKCFL-UHFFFAOYSA-N
Compound name
4-[(4-morpholin-4-ylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.15182 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.15910 203.5
[M+Na]+ 475.14104 206.5
[M-H]- 451.14454 212.7
[M+NH4]+ 470.18564 206.4
[M+K]+ 491.11498 201.6
[M+H-H2O]+ 435.14908 191.6
[M+HCOO]- 497.15002 215.6
[M+CH3COO]- 511.16567 210.0
[M+Na-2H]- 473.12649 207.9
[M]+ 452.15127 201.4
[M]- 452.15237 201.4
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

patents stripe