CID 2034398

558429-54-2

Structural Information

Molecular Formula
C22H20N4O2S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CS4
InChI
InChI=1S/C22H20N4O2S2/c1-2-26-21(19-9-6-14-29-19)24-25-22(26)30-15-20(27)23-16-10-12-18(13-11-16)28-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,23,27)
InChIKey
KOPIBFZHHKAGRM-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.10278 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11006 196.8
[M+Na]+ 459.09200 210.6
[M+NH4]+ 454.13660 203.9
[M+K]+ 475.06594 202.4
[M-H]- 435.09550 203.6
[M+Na-2H]- 457.07745 206.8
[M]+ 436.10223 201.6
[M]- 436.10333 201.6
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.