CID 505069

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

Structural Information

Molecular Formula
C32H28N4O4S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC(=N4)C5=CC=CC=C5
InChI
InChI=1S/C32H28N4O4S/c1-35(2)41(39,40)28-14-8-13-27(20-28)36(22-23-15-16-24-9-6-7-12-26(24)19-23)31(38)21-30(37)32-33-18-17-29(34-32)25-10-4-3-5-11-25/h3-20H,21-22H2,1-2H3
InChIKey
BEOQWQQCTLPZQY-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-(4-phenylpyrimidin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1831 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.19038 233.6
[M+Na]+ 587.17232 236.5
[M-H]- 563.17582 245.3
[M+NH4]+ 582.21692 234.8
[M+K]+ 603.14626 231.7
[M+H-H2O]+ 547.18036 219.9
[M+HCOO]- 609.18130 246.6
[M+CH3COO]- 623.19695 259.6
[M+Na-2H]- 585.15777 236.9
[M]+ 564.18255 237.7
[M]- 564.18365 237.7
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.