CID 16728220

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

Structural Information

Molecular Formula
C24H21BrClN5O3S2
SMILES
CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)Cl)SC2=NN=C(N2C3=CC=C(C4=CC=CC=C43)C5CC5)Br
InChI
InChI=1S/C24H21BrClN5O3S2/c1-13(22(32)28-20-10-8-15(12-19(20)26)36(27,33)34)35-24-30-29-23(25)31(24)21-11-9-16(14-6-7-14)17-4-2-3-5-18(17)21/h2-5,8-14H,6-7H2,1H3,(H,28,32)(H2,27,33,34)
InChIKey
NONXRUSGUAXCOO-UHFFFAOYSA-N
Compound name
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4-sulfamoylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.9958 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.00308 201.3
[M+Na]+ 627.98502 214.3
[M-H]- 603.98852 212.9
[M+NH4]+ 623.02962 204.5
[M+K]+ 643.95896 198.4
[M+H-H2O]+ 587.99306 201.5
[M+HCOO]- 649.99400 206.3
[M+CH3COO]- 664.00965 210.6
[M+Na-2H]- 625.97047 204.8
[M]+ 604.99525 227.0
[M]- 604.99635 227.0
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.