CID 1853270

573943-64-3

Structural Information

Molecular Formula
C19H20ClN5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C3=CC=CC=N3
InChI
InChI=1S/C19H20ClN5O2S/c1-4-25-18(14-7-5-6-8-21-14)23-24-19(25)28-11-17(26)22-15-9-12(2)13(20)10-16(15)27-3/h5-10H,4,11H2,1-3H3,(H,22,26)
InChIKey
XEUAEHIUDRBVPP-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methoxy-5-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

417.10263 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10991 198.3
[M+Na]+ 440.09185 212.8
[M+NH4]+ 435.13645 204.1
[M+K]+ 456.06579 205.0
[M-H]- 416.09535 202.2
[M+Na-2H]- 438.07730 205.5
[M]+ 417.10208 202.1
[M]- 417.10318 202.1
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.