CID 505097

N-(3-dimethylsulfamoyl-phenyl)-3-(5-ethyl-[1,2,4]oxadiazol-3-yl)-n-naphthalen-2-ylmethyl-3-oxo-propionamide

Structural Information

Molecular Formula
C26H26N4O5S
SMILES
CCC1=NC(=NO1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C26H26N4O5S/c1-4-24-27-26(28-35-24)23(31)16-25(32)30(17-18-12-13-19-8-5-6-9-20(19)14-18)21-10-7-11-22(15-21)36(33,34)29(2)3/h5-15H,4,16-17H2,1-3H3
InChIKey
MJYRSXXGHPCEDG-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.16238 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.16966 221.8
[M+Na]+ 529.15160 227.6
[M-H]- 505.15510 233.5
[M+NH4]+ 524.19620 227.3
[M+K]+ 545.12554 225.8
[M+H-H2O]+ 489.15964 211.4
[M+HCOO]- 551.16058 237.8
[M+CH3COO]- 565.17623 248.5
[M+Na-2H]- 527.13705 223.6
[M]+ 506.16183 231.5
[M]- 506.16293 231.5
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.