CID 1051916

720667-83-4

Structural Information

Molecular Formula
C26H26N4O3S
SMILES
CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=C(C=C4)OC
InChI
InChI=1S/C26H26N4O3S/c1-3-33-23-15-11-20(12-16-23)25-28-29-26(30(25)21-7-5-4-6-8-21)34-18-24(31)27-17-19-9-13-22(32-2)14-10-19/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey
HHMHKTXBQFDGRJ-UHFFFAOYSA-N
Compound name
2-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.17258 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.179856 213.9
[M+Na]+ 497.161798 220.3
[M-H]- 473.165304 222.9
[M+NH4]+ 492.206403 219.2
[M+K]+ 513.135738 213.2
[M+H-H2O]+ 457.169840 201.9
[M+HCOO]- 519.170781 229.5
[M+CH3COO]- 533.186431 221.4
[M+Na-2H]- 495.147246 212.5
[M]+ 474.17203142 219.7
[M]- 474.17312858 219.7
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.