CID 1891243

618427-20-6

Structural Information

Molecular Formula
C17H18N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=NC=CN=C3
InChI
InChI=1S/C17H18N6O2S/c1-3-23-16(14-10-18-8-9-19-14)21-22-17(23)26-11-15(24)20-12-4-6-13(25-2)7-5-12/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKey
WCKXTCABSBQOPD-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1212 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12848 185.0
[M+Na]+ 393.11042 194.0
[M-H]- 369.11392 189.3
[M+NH4]+ 388.15502 192.6
[M+K]+ 409.08436 187.7
[M+H-H2O]+ 353.11846 174.1
[M+HCOO]- 415.11940 199.7
[M+CH3COO]- 429.13505 194.1
[M+Na-2H]- 391.09587 186.0
[M]+ 370.12065 189.9
[M]- 370.12175 189.9
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.