CID 505053

N-(3-dimethylsulfamoyl-phenyl)-3-(4-methoxy-pyrimidin-2-yl)-n-naphthalen-2-ylmethyl-3-oxo-propionamide

Structural Information

Molecular Formula
C27H26N4O5S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC(=N4)OC
InChI
InChI=1S/C27H26N4O5S/c1-30(2)37(34,35)23-10-6-9-22(16-23)31(18-19-11-12-20-7-4-5-8-21(20)15-19)26(33)17-24(32)27-28-14-13-25(29-27)36-3/h4-16H,17-18H2,1-3H3
InChIKey
FHOHJILICKSNCP-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-methoxypyrimidin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.1624 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.16968 221.6
[M+Na]+ 541.15162 225.4
[M-H]- 517.15512 231.1
[M+NH4]+ 536.19622 225.3
[M+K]+ 557.12556 222.3
[M+H-H2O]+ 501.15966 209.3
[M+HCOO]- 563.16060 235.4
[M+CH3COO]- 577.17625 251.7
[M+Na-2H]- 539.13707 224.9
[M]+ 518.16185 228.5
[M]- 518.16295 228.5
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.