CID 505062

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

Structural Information

Molecular Formula
C26H27N5O4S
SMILES
CCC1=NC(=NN1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C26H27N5O4S/c1-4-24-27-26(29-28-24)23(32)16-25(33)31(17-18-12-13-19-8-5-6-9-20(19)14-18)21-10-7-11-22(15-21)36(34,35)30(2)3/h5-15H,4,16-17H2,1-3H3,(H,27,28,29)
InChIKey
UWEXSNKPSNPEQF-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-3-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.17838 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.18566 219.8
[M+Na]+ 528.16760 225.0
[M-H]- 504.17110 228.3
[M+NH4]+ 523.21220 224.7
[M+K]+ 544.14154 220.6
[M+H-H2O]+ 488.17564 209.2
[M+HCOO]- 550.17658 233.6
[M+CH3COO]- 564.19223 246.5
[M+Na-2H]- 526.15305 221.2
[M]+ 505.17783 226.4
[M]- 505.17893 226.4
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.