CID 16728197

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

Structural Information

Molecular Formula
C24H24FN5O3S2
SMILES
CC1=CC(=C(C2=CC=CC=C12)N3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N)C)CF)C
InChI
InChI=1S/C24H24FN5O3S2/c1-14-10-16(3)23(19-7-5-4-6-18(14)19)30-21(12-25)28-29-24(30)34-13-22(31)27-20-9-8-17(11-15(20)2)35(26,32)33/h4-11H,12-13H2,1-3H3,(H,27,31)(H2,26,32,33)
InChIKey
GYFDWWXRDOZEOO-UHFFFAOYSA-N
Compound name
2-[[4-(2,4-dimethylnaphthalen-1-yl)-5-(fluoromethyl)-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

513.13043 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.13771 220.8
[M+Na]+ 536.11965 231.1
[M-H]- 512.12315 226.7
[M+NH4]+ 531.16425 226.5
[M+K]+ 552.09359 222.0
[M+H-H2O]+ 496.12769 211.3
[M+HCOO]- 558.12863 229.6
[M+CH3COO]- 572.14428 245.3
[M+Na-2H]- 534.10510 220.2
[M]+ 513.12988 226.8
[M]- 513.13098 226.8
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.