CID 505036

N-(3-dimethylsulfamoyl-phenyl)-3-(5-ethyl-pyrimidin-2-yl)-n-naphthalen-2-ylmethyl-3-oxo-propionamide

Structural Information

Molecular Formula
C28H28N4O4S
SMILES
CCC1=CN=C(N=C1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C28H28N4O4S/c1-4-20-17-29-28(30-18-20)26(33)16-27(34)32(19-21-12-13-22-8-5-6-9-23(22)14-21)24-10-7-11-25(15-24)37(35,36)31(2)3/h5-15,17-18H,4,16,19H2,1-3H3
InChIKey
PPMGIFVMHMCJLM-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-3-(5-ethylpyrimidin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.1831 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.19038 223.2
[M+Na]+ 539.17232 227.0
[M-H]- 515.17582 232.5
[M+NH4]+ 534.21692 227.2
[M+K]+ 555.14626 222.9
[M+H-H2O]+ 499.18036 211.0
[M+HCOO]- 561.18130 236.6
[M+CH3COO]- 575.19695 252.3
[M+Na-2H]- 537.15777 225.7
[M]+ 516.18255 229.1
[M]- 516.18365 229.1
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.