CID 1605910

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

Structural Information

Molecular Formula
C23H18Cl2N4O2S
SMILES
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H18Cl2N4O2S/c1-31-20-11-5-15(6-12-20)22-27-28-23(29(22)19-9-7-16(24)8-10-19)32-14-21(30)26-18-4-2-3-17(25)13-18/h2-13H,14H2,1H3,(H,26,30)
InChIKey
CFSFTPGTUNYOTM-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-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

484.05276 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.06004 209.8
[M+Na]+ 507.04198 219.5
[M-H]- 483.04548 218.9
[M+NH4]+ 502.08658 216.7
[M+K]+ 523.01592 210.9
[M+H-H2O]+ 467.05002 199.2
[M+HCOO]- 529.05096 216.6
[M+CH3COO]- 543.06661 218.0
[M+Na-2H]- 505.02743 207.8
[M]+ 484.05221 217.5
[M]- 484.05331 217.5
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.