CID 1962293

577988-98-8

Structural Information

Molecular Formula
C22H20N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=CO4
InChI
InChI=1S/C22H20N4O2S/c1-2-26-21(19-13-8-14-28-19)24-25-22(26)29-15-20(27)23-18-12-7-6-11-17(18)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,23,27)
InChIKey
QOGRRVMALXVXMN-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1307 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.137976 194.9
[M+Na]+ 427.119918 204.3
[M-H]- 403.123424 206.3
[M+NH4]+ 422.164523 204.3
[M+K]+ 443.093858 198.8
[M+H-H2O]+ 387.127960 185.3
[M+HCOO]- 449.128901 213.6
[M+CH3COO]- 463.144551 205.4
[M+Na-2H]- 425.105366 194.0
[M]+ 404.13015142 201.1
[M]- 404.13124858 201.1
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.