CID 3799182

2-{[4-ethyl-5-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n-[2-(propan-2-yl)phenyl]acetamide

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C3=CN=CC=C3
InChI
InChI=1S/C20H23N5OS/c1-4-25-19(15-8-7-11-21-12-15)23-24-20(25)27-13-18(26)22-17-10-6-5-9-16(17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)
InChIKey
HRGCNZHJAPRRSE-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16960 190.1
[M+Na]+ 404.15154 203.0
[M+NH4]+ 399.19614 196.0
[M+K]+ 420.12548 196.0
[M-H]- 380.15504 194.1
[M+Na-2H]- 402.13699 197.9
[M]+ 381.16177 193.4
[M]- 381.16287 193.4
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.