CID 505095

N-(4-methylsulfamoyl-phenyl)-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C25H22N4O4S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C25H22N4O4S/c1-26-34(32,33)22-11-9-21(10-12-22)29(24(31)16-23(30)25-27-13-4-14-28-25)17-18-7-8-19-5-2-3-6-20(19)15-18/h2-15,26H,16-17H2,1H3
InChIKey
INBYCVFRGUNDRY-UHFFFAOYSA-N
Compound name
N-[4-(methylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.13617 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14345 210.0
[M+Na]+ 497.12539 214.3
[M-H]- 473.12889 218.2
[M+NH4]+ 492.16999 215.0
[M+K]+ 513.09933 209.2
[M+H-H2O]+ 457.13343 198.4
[M+HCOO]- 519.13437 224.1
[M+CH3COO]- 533.15002 239.7
[M+Na-2H]- 495.11084 215.2
[M]+ 474.13562 213.3
[M]- 474.13672 213.3
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.