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]+ 475.17986 214.1
[M+Na]+ 497.16180 228.7
[M+NH4]+ 492.20640 219.9
[M+K]+ 513.13574 220.0
[M-H]- 473.16530 220.9
[M+Na-2H]- 495.14725 224.2
[M]+ 474.17203 218.6
[M]- 474.17313 218.6
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.