CID 1081434

477330-63-5

Structural Information

Molecular Formula
C23H20FN5O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3F)C4=CN=CC=C4
InChI
InChI=1S/C23H20FN5O2S/c1-2-31-18-11-9-17(10-12-18)29-22(16-6-5-13-25-14-16)27-28-23(29)32-15-21(30)26-20-8-4-3-7-19(20)24/h3-14H,2,15H2,1H3,(H,26,30)
InChIKey
HUQMURHVIWVBGS-UHFFFAOYSA-N
Compound name
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.13217 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13945 204.0
[M+Na]+ 472.12139 218.2
[M+NH4]+ 467.16599 209.1
[M+K]+ 488.09533 210.2
[M-H]- 448.12489 208.9
[M+Na-2H]- 470.10684 213.8
[M]+ 449.13162 207.7
[M]- 449.13272 207.7
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.