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]+ 369.149216 187.6
[M+Na]+ 391.131158 197.3
[M-H]- 367.134664 192.1
[M+NH4]+ 386.175763 195.7
[M+K]+ 407.105098 190.1
[M+H-H2O]+ 351.139200 176.9
[M+HCOO]- 413.140141 201.7
[M+CH3COO]- 427.155791 196.8
[M+Na-2H]- 389.116606 187.1
[M]+ 368.14139142 191.9
[M]- 368.14248858 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.