CID 1264890

573960-93-7

Structural Information

Molecular Formula
C18H20N4O3S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=CS3
InChI
InChI=1S/C18H20N4O3S2/c1-4-22-17(15-6-5-7-26-15)20-21-18(22)27-11-16(23)19-12-8-13(24-2)10-14(9-12)25-3/h5-10H,4,11H2,1-3H3,(H,19,23)
InChIKey
IBRZASMNOXKDGG-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-2-[(4-ethyl-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

404.0977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10498 192.4
[M+Na]+ 427.08692 203.9
[M+NH4]+ 422.13152 198.4
[M+K]+ 443.06086 197.5
[M-H]- 403.09042 196.1
[M+Na-2H]- 425.07237 198.4
[M]+ 404.09715 195.9
[M]- 404.09825 195.9
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.