CID 3852402

618427-22-8

Structural Information

Molecular Formula
C18H20N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6O2S/c1-4-24-17(14-10-19-7-8-20-14)22-23-18(24)27-11-16(25)21-13-9-12(2)5-6-15(13)26-3/h5-10H,4,11H2,1-3H3,(H,21,25)
InChIKey
KFTDBWWRMJUVHK-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14412 189.8
[M+Na]+ 407.12606 203.2
[M+NH4]+ 402.17066 194.7
[M+K]+ 423.10000 196.8
[M-H]- 383.12956 192.9
[M+Na-2H]- 405.11151 197.2
[M]+ 384.13629 192.9
[M]- 384.13739 192.9
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.