CID 11599167

4-[(4-morpholinophenyl)sulfamoyl]-n,n-bis(2-pyridylmethyl)benzamide

Structural Information

Molecular Formula
C29H29N5O4S
SMILES
C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)N(CC4=CC=CC=N4)CC5=CC=CC=N5
InChI
InChI=1S/C29H29N5O4S/c35-29(34(21-25-5-1-3-15-30-25)22-26-6-2-4-16-31-26)23-7-13-28(14-8-23)39(36,37)32-24-9-11-27(12-10-24)33-17-19-38-20-18-33/h1-16,32H,17-22H2
InChIKey
JRDJHBKRHGUGBB-UHFFFAOYSA-N
Compound name
4-[(4-morpholin-4-ylphenyl)sulfamoyl]-N,N-bis(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.19403 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.20131 224.2
[M+Na]+ 566.18325 225.5
[M-H]- 542.18675 235.4
[M+NH4]+ 561.22785 221.7
[M+K]+ 582.15719 220.5
[M+H-H2O]+ 526.19129 209.8
[M+HCOO]- 588.19223 234.3
[M+CH3COO]- 602.20788 228.5
[M+Na-2H]- 564.16870 228.0
[M]+ 543.19348 222.5
[M]- 543.19458 222.5
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.