CID 663112

577963-14-5

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)C)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6OS/c1-4-24-17(15-10-19-7-8-20-15)22-23-18(24)26-11-16(25)21-14-9-12(2)5-6-13(14)3/h5-10H,4,11H2,1-3H3,(H,21,25)
InChIKey
ZXRUNCWCDDJIEN-UHFFFAOYSA-N
Compound name
N-(2,5-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

6
References

6
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 186.7
[M+Na]+ 391.13116 200.5
[M+NH4]+ 386.17576 192.1
[M+K]+ 407.10510 193.6
[M-H]- 367.13466 190.2
[M+Na-2H]- 389.11661 194.5
[M]+ 368.14139 190.0
[M]- 368.14249 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe