CID 1979030

573972-93-7

Structural Information

Molecular Formula
C23H21N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CN=CC=C4
InChI
InChI=1S/C23H21N5O2S/c1-2-28-22(17-7-6-14-24-15-17)26-27-23(28)31-16-21(29)25-18-10-12-20(13-11-18)30-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,25,29)
InChIKey
GSGGKMNRACVDOQ-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1416 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.14888 200.2
[M+Na]+ 454.13082 215.4
[M+NH4]+ 449.17542 206.3
[M+K]+ 470.10476 207.0
[M-H]- 430.13432 206.7
[M+Na-2H]- 452.11627 211.3
[M]+ 431.14105 204.7
[M]- 431.14215 204.7
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.