CID 1156394

2-((5-(2-methoxyphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl)thio)-n-phenylacetamide

Structural Information

Molecular Formula
C23H20N4O2S
SMILES
COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H20N4O2S/c1-29-20-15-9-8-14-19(20)22-25-26-23(27(22)18-12-6-3-7-13-18)30-16-21(28)24-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H,24,28)
InChIKey
AADTWPWZMZZLQE-UHFFFAOYSA-N
Compound name
2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1307 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13798 197.3
[M+Na]+ 439.11992 212.7
[M+NH4]+ 434.16452 204.2
[M+K]+ 455.09386 203.9
[M-H]- 415.12342 204.6
[M+Na-2H]- 437.10537 208.8
[M]+ 416.13015 202.1
[M]- 416.13125 202.1
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.