CID 505064

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

Structural Information

Molecular Formula
C24H23N5O4S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=NN4
InChI
InChI=1S/C24H23N5O4S/c1-28(2)34(32,33)21-9-5-8-20(13-21)29(23(31)14-22(30)24-25-16-26-27-24)15-17-10-11-18-6-3-4-7-19(18)12-17/h3-13,16H,14-15H2,1-2H3,(H,25,26,27)
InChIKey
QBHGFUYYWMWQJU-UHFFFAOYSA-N
Compound name
N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-(1H-1,2,4-triazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15434 210.7
[M+Na]+ 500.13628 216.1
[M-H]- 476.13978 219.2
[M+NH4]+ 495.18088 216.5
[M+K]+ 516.11022 211.9
[M+H-H2O]+ 460.14432 200.3
[M+HCOO]- 522.14526 225.3
[M+CH3COO]- 536.16091 239.6
[M+Na-2H]- 498.12173 213.7
[M]+ 477.14651 216.3
[M]- 477.14761 216.3
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.