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]+ 405.13798 194.9
[M+Na]+ 427.11992 204.3
[M-H]- 403.12342 206.3
[M+NH4]+ 422.16452 204.3
[M+K]+ 443.09386 198.8
[M+H-H2O]+ 387.12796 185.3
[M+HCOO]- 449.12890 213.6
[M+CH3COO]- 463.14455 205.4
[M+Na-2H]- 425.10537 194.0
[M]+ 404.13015 201.1
[M]- 404.13125 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.