CID 505034

N-[3-(benzyl-methyl-sulfamoyl)-phenyl]-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C32H28N4O4S
SMILES
CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C32H28N4O4S/c1-35(22-24-9-3-2-4-10-24)41(39,40)29-14-7-13-28(20-29)36(31(38)21-30(37)32-33-17-8-18-34-32)23-25-15-16-26-11-5-6-12-27(26)19-25/h2-20H,21-23H2,1H3
InChIKey
UNXONTYYFDTGDU-UHFFFAOYSA-N
Compound name
N-[3-[benzyl(methyl)sulfamoyl]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

564.1831 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.19038 232.6
[M+Na]+ 587.17232 234.7
[M-H]- 563.17582 243.9
[M+NH4]+ 582.21692 233.5
[M+K]+ 603.14626 229.8
[M+H-H2O]+ 547.18036 218.8
[M+HCOO]- 609.18130 245.6
[M+CH3COO]- 623.19695 258.3
[M+Na-2H]- 585.15777 236.6
[M]+ 564.18255 236.2
[M]- 564.18365 236.2
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.