CID 1596061

499103-68-3

Structural Information

Molecular Formula
C20H19N3O4S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C20H19N3O4S3/c1-25-15-5-2-13(3-6-15)11-28-19-22-23-20(30-19)29-12-18(24)21-14-4-7-16-17(10-14)27-9-8-26-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)
InChIKey
FVCZGNYHYLYCQD-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.05377 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.06105 193.5
[M+Na]+ 484.04299 205.1
[M+NH4]+ 479.08759 200.7
[M+K]+ 500.01693 195.5
[M-H]- 460.04649 201.0
[M+Na-2H]- 482.02844 198.8
[M]+ 461.05322 198.6
[M]- 461.05432 198.6
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.