CID 1414449

477329-55-8

Structural Information

Molecular Formula
C24H22FN5O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)F)C4=CN=CC=C4
InChI
InChI=1S/C24H22FN5O2S/c1-3-32-20-10-8-19(9-11-20)30-23(17-5-4-12-26-14-17)28-29-24(30)33-15-22(31)27-18-7-6-16(2)21(25)13-18/h4-14H,3,15H2,1-2H3,(H,27,31)
InChIKey
UZLWLQKXCLGLEN-UHFFFAOYSA-N
Compound name
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.14783 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15511 209.6
[M+Na]+ 486.13705 223.9
[M+NH4]+ 481.18165 214.5
[M+K]+ 502.11099 215.8
[M-H]- 462.14055 214.5
[M+Na-2H]- 484.12250 218.8
[M]+ 463.14728 213.4
[M]- 463.14838 213.4
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.