CID 2018932

618427-34-2

Structural Information

Molecular Formula
C23H20N6O3S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C5=NC=CN=C5
InChI
InChI=1S/C23H20N6O3S/c1-3-29-22(17-12-24-8-9-25-17)27-28-23(29)33-13-21(30)26-16-11-19-15(10-20(16)31-2)14-6-4-5-7-18(14)32-19/h4-12H,3,13H2,1-2H3,(H,26,30)
InChIKey
PDXOTKHVSIIFNR-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13177 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.13905 207.3
[M+Na]+ 483.12099 219.5
[M-H]- 459.12449 215.7
[M+NH4]+ 478.16559 214.1
[M+K]+ 499.09493 213.6
[M+H-H2O]+ 443.12903 197.8
[M+HCOO]- 505.12997 222.5
[M+CH3COO]- 519.14562 216.8
[M+Na-2H]- 481.10644 208.7
[M]+ 460.13122 218.2
[M]- 460.13232 218.2
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.