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 193.9
[M+Na]+ 427.11992 208.8
[M+NH4]+ 422.16452 200.7
[M+K]+ 443.09386 202.8
[M-H]- 403.12342 201.8
[M+Na-2H]- 425.10537 204.0
[M]+ 404.13015 198.8
[M]- 404.13125 198.8
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.