CID 1981216

578753-48-7

Structural Information

Molecular Formula
C23H20N4O2S2
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CS4
InChI
InChI=1S/C23H20N4O2S2/c1-2-14-27-22(20-9-6-15-30-20)25-26-23(27)31-16-21(28)24-17-10-12-19(13-11-17)29-18-7-4-3-5-8-18/h2-13,15H,1,14,16H2,(H,24,28)
InChIKey
OICWKGRMSLIJGC-UHFFFAOYSA-N
Compound name
N-(4-phenoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10278 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11006 200.7
[M+Na]+ 471.09200 214.4
[M+NH4]+ 466.13660 207.4
[M+K]+ 487.06594 205.8
[M-H]- 447.09550 207.2
[M+Na-2H]- 469.07745 210.4
[M]+ 448.10223 205.4
[M]- 448.10333 205.4
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.