CID 505068

N-benzyl-n-(3-dimethylsulfamoyl-phenyl)-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C22H22N4O4S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)N(CC2=CC=CC=C2)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C22H22N4O4S/c1-25(2)31(29,30)19-11-6-10-18(14-19)26(16-17-8-4-3-5-9-17)21(28)15-20(27)22-23-12-7-13-24-22/h3-14H,15-16H2,1-2H3
InChIKey
YWEWCPUPKVNPLO-UHFFFAOYSA-N
Compound name
N-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.13617 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14345 201.8
[M+Na]+ 461.12539 205.7
[M-H]- 437.12889 210.9
[M+NH4]+ 456.16999 208.0
[M+K]+ 477.09933 202.6
[M+H-H2O]+ 421.13343 190.3
[M+HCOO]- 483.13437 217.8
[M+CH3COO]- 497.15002 234.9
[M+Na-2H]- 459.11084 204.8
[M]+ 438.13562 206.3
[M]- 438.13672 206.3
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.