CID 16728232

2-[[5-chloro-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2-chloro-4-sulfamoyl-phenyl)acetamide

Structural Information

Molecular Formula
C23H19Cl2N5O3S2
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Cl)SCC(=O)NC5=C(C=C(C=C5)S(=O)(=O)N)Cl
InChI
InChI=1S/C23H19Cl2N5O3S2/c24-18-11-14(35(26,32)33)7-9-19(18)27-21(31)12-34-23-29-28-22(25)30(23)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20/h1-4,7-11,13H,5-6,12H2,(H,27,31)(H2,26,32,33)
InChIKey
FQQMOKQJHVDOII-UHFFFAOYSA-N
Compound name
2-[[5-chloro-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.03064 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.03792 209.5
[M+Na]+ 570.01986 220.5
[M-H]- 546.02336 218.4
[M+NH4]+ 565.06446 210.8
[M+K]+ 585.99380 210.9
[M+H-H2O]+ 530.02790 203.3
[M+HCOO]- 592.02884 212.1
[M+CH3COO]- 606.04449 216.5
[M+Na-2H]- 568.00531 210.7
[M]+ 547.03009 219.5
[M]- 547.03119 219.5
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.