CID 505335

N-(3-tert-butylsulfamoyl-phenyl)-n-(3,4-dichloro-benzyl)-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C24H24Cl2N4O4S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C24H24Cl2N4O4S/c1-24(2,3)29-35(33,34)18-7-4-6-17(13-18)30(15-16-8-9-19(25)20(26)12-16)22(32)14-21(31)23-27-10-5-11-28-23/h4-13,29H,14-15H2,1-3H3
InChIKey
RHWHZCORUGIQHW-UHFFFAOYSA-N
Compound name
N-[3-(tert-butylsulfamoyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.08954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.09682 218.9
[M+Na]+ 557.07876 224.6
[M-H]- 533.08226 226.9
[M+NH4]+ 552.12336 223.2
[M+K]+ 573.05270 218.9
[M+H-H2O]+ 517.08680 209.5
[M+HCOO]- 579.08774 223.1
[M+CH3COO]- 593.10339 246.4
[M+Na-2H]- 555.06421 220.9
[M]+ 534.08899 227.1
[M]- 534.09009 227.1
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.