CID 1968568

618427-42-2

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6OS/c1-3-13-7-5-6-8-14(13)21-16(25)12-26-18-23-22-17(24(18)4-2)15-11-19-9-10-20-15/h5-11H,3-4,12H2,1-2H3,(H,21,25)
InChIKey
CBRPAJMMITWNAM-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-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 185.5
[M+Na]+ 391.13116 199.0
[M+NH4]+ 386.17576 191.0
[M+K]+ 407.10510 191.9
[M-H]- 367.13466 188.9
[M+Na-2H]- 389.11661 193.6
[M]+ 368.14139 188.7
[M]- 368.14249 188.7
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.