CID 662347

618427-36-4

Structural Information

Molecular Formula
C18H20N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6O2S/c1-3-24-17(14-11-19-9-10-20-14)22-23-18(24)27-12-16(25)21-13-7-5-6-8-15(13)26-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,25)
InChIKey
ORTNJDJWRLSLQW-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-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

7
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 188.7
[M+Na]+ 407.12606 201.7
[M+NH4]+ 402.17066 193.6
[M+K]+ 423.10000 195.2
[M-H]- 383.12956 191.6
[M+Na-2H]- 405.11151 196.4
[M]+ 384.13629 191.6
[M]- 384.13739 191.6
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