CID 1081730

603978-78-5

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C3=CC=CO3
InChI
InChI=1S/C19H22N4O2S/c1-5-23-18(15-7-6-8-25-15)21-22-19(23)26-11-16(24)20-17-13(3)9-12(2)10-14(17)4/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKey
PKQAJGWVAMCYCK-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14636 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 189.5
[M+Na]+ 393.13558 202.7
[M+NH4]+ 388.18018 195.6
[M+K]+ 409.10952 198.1
[M-H]- 369.13908 194.8
[M+Na-2H]- 391.12103 195.6
[M]+ 370.14581 193.3
[M]- 370.14691 193.3
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.