CID 16728238

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

Structural Information

Molecular Formula
C24H21BrClN5O3S2
SMILES
C1CC(C1)C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)NC5=C(C=C(C=C5)S(=O)(=O)N)Cl
InChI
InChI=1S/C24H21BrClN5O3S2/c25-23-29-30-24(35-13-22(32)28-20-10-8-15(12-19(20)26)36(27,33)34)31(23)21-11-9-16(14-4-3-5-14)17-6-1-2-7-18(17)21/h1-2,6-12,14H,3-5,13H2,(H,28,32)(H2,27,33,34)
InChIKey
IZDVJVLIKBQWEQ-UHFFFAOYSA-N
Compound name
2-[[5-bromo-4-(4-cyclobutylnaphthalen-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

604.9958 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.00308 199.4
[M+Na]+ 627.98502 208.6
[M-H]- 603.98852 209.7
[M+NH4]+ 623.02962 200.3
[M+K]+ 643.95896 197.3
[M+H-H2O]+ 587.99306 191.4
[M+HCOO]- 649.99400 202.3
[M+CH3COO]- 664.00965 207.9
[M+Na-2H]- 625.97047 202.5
[M]+ 604.99525 229.7
[M]- 604.99635 229.7
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.