CID 1627374

N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C23H16BrClF2N4O2S
SMILES
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=C(C=C4Br)F)F
InChI
InChI=1S/C23H16BrClF2N4O2S/c1-33-17-8-2-13(3-9-17)22-29-30-23(31(22)16-6-4-14(25)5-7-16)34-12-20(32)28-21-18(24)10-15(26)11-19(21)27/h2-11H,12H2,1H3,(H,28,32)
InChIKey
QCUWSZYTPVNKMD-UHFFFAOYSA-N
Compound name
N-(2-bromo-4,6-difluorophenyl)-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.9834 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.99068 216.2
[M+Na]+ 586.97262 221.3
[M+NH4]+ 582.01722 218.1
[M+K]+ 602.94656 218.6
[M-H]- 562.97612 218.3
[M+Na-2H]- 584.95807 220.4
[M]+ 563.98285 217.0
[M]- 563.98395 217.0
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.