CID 2012167

618426-66-7

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C3=CN=CC=C3
InChI
InChI=1S/C20H23N5OS/c1-5-25-19(16-7-6-8-21-11-16)23-24-20(25)27-12-17(26)22-18-14(3)9-13(2)10-15(18)4/h6-11H,5,12H2,1-4H3,(H,22,26)
InChIKey
RRGJSLKECWPYGR-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)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 192.8
[M+Na]+ 404.15154 206.9
[M+NH4]+ 399.19614 198.8
[M+K]+ 420.12548 199.3
[M-H]- 380.15504 197.2
[M+Na-2H]- 402.13699 200.3
[M]+ 381.16177 196.5
[M]- 381.16287 196.5
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.