CID 1989408

577959-89-8

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6OS/c1-4-24-17(14-10-19-8-9-20-14)22-23-18(24)26-11-15(25)21-16-12(2)6-5-7-13(16)3/h5-10H,4,11H2,1-3H3,(H,21,25)
InChIKey
YWGGABKSFCVQFJ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14194 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14922 187.6
[M+Na]+ 391.13116 197.3
[M-H]- 367.13466 192.1
[M+NH4]+ 386.17576 195.7
[M+K]+ 407.10510 190.1
[M+H-H2O]+ 351.13920 176.9
[M+HCOO]- 413.14014 201.7
[M+CH3COO]- 427.15579 196.8
[M+Na-2H]- 389.11661 187.1
[M]+ 368.14139 191.9
[M]- 368.14249 191.9
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.