CID 505141

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

Structural Information

Molecular Formula
C26H30N4O4S
SMILES
CCCCC1=CC(=CC=C1)CN(C2=CC(=CC=C2)S(=O)(=O)N(C)C)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C26H30N4O4S/c1-4-5-9-20-10-6-11-21(16-20)19-30(25(32)18-24(31)26-27-14-8-15-28-26)22-12-7-13-23(17-22)35(33,34)29(2)3/h6-8,10-17H,4-5,9,18-19H2,1-3H3
InChIKey
CGEVUGKBOWNJPR-UHFFFAOYSA-N
Compound name
N-[(3-butylphenyl)methyl]-N-[3-(dimethylsulfamoyl)phenyl]-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1988 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.20608 218.9
[M+Na]+ 517.18802 221.7
[M-H]- 493.19152 227.4
[M+NH4]+ 512.23262 223.0
[M+K]+ 533.16196 217.9
[M+H-H2O]+ 477.19606 206.7
[M+HCOO]- 539.19700 233.5
[M+CH3COO]- 553.21265 247.5
[M+Na-2H]- 515.17347 219.3
[M]+ 494.19825 225.1
[M]- 494.19935 225.1
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.