CID 1995002

579444-09-0

Structural Information

Molecular Formula
C24H23N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C24H23N5O2S/c1-2-29-23(21-10-6-7-15-25-21)27-28-24(29)32-17-22(30)26-19-11-13-20(14-12-19)31-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,30)
InChIKey
DIUGZEKQJWMRHO-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.15726 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.16454 204.5
[M+Na]+ 468.14648 219.4
[M+NH4]+ 463.19108 210.4
[M+K]+ 484.12042 210.8
[M-H]- 444.14998 210.9
[M+Na-2H]- 466.13193 215.3
[M]+ 445.15671 208.9
[M]- 445.15781 208.9
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.