CID 16728229

2-[[5-bromo-4-(4-propyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide

Structural Information

Molecular Formula
C24H24BrN5O3S2
SMILES
CCCC1=CC=C(C2=CC=CC=C12)N3C(=NN=C3Br)SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N)C
InChI
InChI=1S/C24H24BrN5O3S2/c1-3-6-16-9-12-21(19-8-5-4-7-18(16)19)30-23(25)28-29-24(30)34-14-22(31)27-20-11-10-17(13-15(20)2)35(26,32)33/h4-5,7-13H,3,6,14H2,1-2H3,(H,27,31)(H2,26,32,33)
InChIKey
IEFDJJSKZLRIHK-UHFFFAOYSA-N
Compound name
2-[[5-bromo-4-(4-propylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.0504 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.05768 207.3
[M+Na]+ 596.03962 219.3
[M-H]- 572.04312 216.5
[M+NH4]+ 591.08422 215.0
[M+K]+ 612.01356 203.8
[M+H-H2O]+ 556.04766 205.4
[M+HCOO]- 618.04860 216.0
[M+CH3COO]- 632.06425 216.9
[M+Na-2H]- 594.02507 210.9
[M]+ 573.04985 231.5
[M]- 573.05095 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.