CID 3606638

763126-26-7

Structural Information

Molecular Formula
C25H24N4O2S
SMILES
CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C25H24N4O2S/c1-2-31-22-15-13-20(14-16-22)24-27-28-25(29(24)21-11-7-4-8-12-21)32-18-23(30)26-17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,26,30)
InChIKey
XZUWGHZQPINXEE-UHFFFAOYSA-N
Compound name
N-benzyl-2-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16928 205.9
[M+Na]+ 467.15122 220.8
[M+NH4]+ 462.19582 212.4
[M+K]+ 483.12516 211.6
[M-H]- 443.15472 213.1
[M+Na-2H]- 465.13667 216.9
[M]+ 444.16145 210.6
[M]- 444.16255 210.6
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.