CID 6478533

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

Structural Information

Molecular Formula
C24H24N4O4S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)N(C/C=C/C2=CC=CC=C2)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C24H24N4O4S/c1-27(2)33(31,32)21-13-6-12-20(17-21)28(16-7-11-19-9-4-3-5-10-19)23(30)18-22(29)24-25-14-8-15-26-24/h3-15,17H,16,18H2,1-2H3/b11-7+
InChIKey
LYNUXXNBICASNO-YRNVUSSQSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-3-oxo-N-[(E)-3-phenylprop-2-enyl]-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.15182 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15910 210.0
[M+Na]+ 487.14104 213.3
[M-H]- 463.14454 218.7
[M+NH4]+ 482.18564 215.1
[M+K]+ 503.11498 209.2
[M+H-H2O]+ 447.14908 198.1
[M+HCOO]- 509.15002 225.5
[M+CH3COO]- 523.16567 239.2
[M+Na-2H]- 485.12649 212.0
[M]+ 464.15127 214.3
[M]- 464.15237 214.3
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.