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 190.3
[M+Na]+ 407.12606 199.6
[M-H]- 383.12956 194.7
[M+NH4]+ 402.17066 197.5
[M+K]+ 423.10000 193.1
[M+H-H2O]+ 367.13410 179.4
[M+HCOO]- 429.13504 204.6
[M+CH3COO]- 443.15069 199.2
[M+Na-2H]- 405.11151 190.0
[M]+ 384.13629 195.9
[M]- 384.13739 195.9
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.