CID 1980254

578001-91-9

Structural Information

Molecular Formula
C19H20ClN5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=CC=N3
InChI
InChI=1S/C19H20ClN5OS/c1-4-25-18(15-7-5-6-8-21-15)23-24-19(25)27-11-16(26)22-17-13(3)9-12(2)10-14(17)20/h5-10H,4,11H2,1-3H3,(H,22,26)
InChIKey
XEUDLAMRXMTFPI-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,6-dimethylphenyl)-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

401.1077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11498 195.3
[M+Na]+ 424.09692 210.4
[M+NH4]+ 419.14152 201.7
[M+K]+ 440.07086 202.0
[M-H]- 400.10042 199.7
[M+Na-2H]- 422.08237 203.0
[M]+ 401.10715 199.5
[M]- 401.10825 199.5
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.