CID 16728225

Acetamide, n-[4-(aminosulfonyl)-2-chlorophenyl]-2-[[5-difluoromethyl-4-(2,4-dimethyl-1-naphthalenyl)-4h-1,2,4-triazol-3-yl]thio]-

Structural Information

Molecular Formula
C23H20ClF2N5O3S2
SMILES
CC1=CC(=C(C2=CC=CC=C12)N3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N)Cl)C(F)F)C
InChI
InChI=1S/C23H20ClF2N5O3S2/c1-12-9-13(2)20(16-6-4-3-5-15(12)16)31-22(21(25)26)29-30-23(31)35-11-19(32)28-18-8-7-14(10-17(18)24)36(27,33)34/h3-10,21H,11H2,1-2H3,(H,28,32)(H2,27,33,34)
InChIKey
IPDOQYFHXPCHQR-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-2-[[5-(difluoromethyl)-4-(2,4-dimethylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.0664 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.07368 221.8
[M+Na]+ 574.05562 232.5
[M-H]- 550.05912 226.8
[M+NH4]+ 569.10022 226.8
[M+K]+ 590.02956 223.2
[M+H-H2O]+ 534.06366 212.5
[M+HCOO]- 596.06460 224.6
[M+CH3COO]- 610.08025 248.9
[M+Na-2H]- 572.04107 220.5
[M]+ 551.06585 228.5
[M]- 551.06695 228.5
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.