CID 3856745

Salor-int l367656-1ea

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=CC=N3)C
InChI
InChI=1S/C20H23N5OS/c1-4-15-10-8-9-14(3)18(15)22-17(26)13-27-20-24-23-19(25(20)5-2)16-11-6-7-12-21-16/h6-12H,4-5,13H2,1-3H3,(H,22,26)
InChIKey
CUKRGZIRQUHIKO-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16232 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16960 191.8
[M+Na]+ 404.15154 205.5
[M+NH4]+ 399.19614 197.8
[M+K]+ 420.12548 197.7
[M-H]- 380.15504 196.0
[M+Na-2H]- 402.13699 199.6
[M]+ 381.16177 195.3
[M]- 381.16287 195.3
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.