CID 505332

N-[(3,4-dichlorophenyl)methyl]-3-oxo-3-pyrimidin-2-yl-n-(3-sulfamoylphenyl)propanamide

Structural Information

Molecular Formula
C20H16Cl2N4O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C20H16Cl2N4O4S/c21-16-6-5-13(9-17(16)22)12-26(14-3-1-4-15(10-14)31(23,29)30)19(28)11-18(27)20-24-7-2-8-25-20/h1-10H,11-12H2,(H2,23,29,30)
InChIKey
DQECNFUNSDFMQC-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-oxo-3-pyrimidin-2-yl-N-(3-sulfamoylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.02692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03420 202.5
[M+Na]+ 501.01614 209.8
[M-H]- 477.01964 210.4
[M+NH4]+ 496.06074 208.7
[M+K]+ 516.99008 203.7
[M+H-H2O]+ 461.02418 193.5
[M+HCOO]- 523.02512 208.9
[M+CH3COO]- 537.04077 235.1
[M+Na-2H]- 499.00159 204.0
[M]+ 478.02637 209.1
[M]- 478.02747 209.1
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.