CID 4405569

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

Structural Information

Molecular Formula
C24H20Cl2N4O3S
SMILES
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC=C3Cl)Cl)COC4=CC=CC=C4
InChI
InChI=1S/C24H20Cl2N4O3S/c1-32-17-12-10-16(11-13-17)30-21(14-33-18-6-3-2-4-7-18)28-29-24(30)34-15-22(31)27-23-19(25)8-5-9-20(23)26/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey
AXCRSKPRYPKVPI-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0633 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.07058 219.7
[M+Na]+ 537.05252 236.3
[M+NH4]+ 532.09712 226.2
[M+K]+ 553.02646 226.3
[M-H]- 513.05602 226.4
[M+Na-2H]- 535.03797 229.5
[M]+ 514.06275 225.1
[M]- 514.06385 225.1
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.